Test
CAS: 76-13-1 Molecular Formula: C2Cl3F3 Molecular Weight (g/mol): 187.37 InChI Key: AJDIZQLSFPQPEY-UHFFFAOYSA-N IUPAC Name: 1,1,2-trichloro-1,2,2-trifluoroethane SMILES: FC(F)(Cl)C(F)(Cl)Cl
CAS | 76-13-1 |
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Molecular Weight (g/mol) | 187.37 |
SMILES | FC(F)(Cl)C(F)(Cl)Cl |
IUPAC Name | 1,1,2-trichloro-1,2,2-trifluoroethane |
InChI Key | AJDIZQLSFPQPEY-UHFFFAOYSA-N |
Molecular Formula | C2Cl3F3 |
CAS: 71-41-0 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002977,MFCD00081734,MFCD01075169 InChI Key: AMQJEAYHLZJPGS-UHFFFAOYSA-N IUPAC Name: pentan-1-ol SMILES: CCCCCO
CAS | 71-41-0 |
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Molecular Weight (g/mol) | 88.15 |
MDL Number | MFCD00002977,MFCD00081734,MFCD01075169 |
SMILES | CCCCCO |
IUPAC Name | pentan-1-ol |
InChI Key | AMQJEAYHLZJPGS-UHFFFAOYSA-N |
Molecular Formula | C5H12O |
CAS: 123-54-6 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00008787 InChI Key: YRKCREAYFQTBPV-UHFFFAOYSA-N IUPAC Name: pentane-2,4-dione SMILES: CC(=O)CC(C)=O
CAS | 123-54-6 |
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Molecular Weight (g/mol) | 100.12 |
MDL Number | MFCD00008787 |
SMILES | CC(=O)CC(C)=O |
IUPAC Name | pentane-2,4-dione |
InChI Key | YRKCREAYFQTBPV-UHFFFAOYSA-N |
Molecular Formula | C5H8O2 |
CAS: 78-93-3 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00011648 InChI Key: ZWEHNKRNPOVVGH-UHFFFAOYSA-N IUPAC Name: butan-2-one SMILES: CCC(C)=O
CAS | 78-93-3 |
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Molecular Weight (g/mol) | 72.11 |
MDL Number | MFCD00011648 |
SMILES | CCC(C)=O |
IUPAC Name | butan-2-one |
InChI Key | ZWEHNKRNPOVVGH-UHFFFAOYSA-N |
Molecular Formula | C4H8O |
CAS: 7783-28-0 Molecular Formula: H9N2O4P Molecular Weight (g/mol): 132.06 MDL Number: MFCD00010891 InChI Key: MNNHAPBLZZVQHP-UHFFFAOYSA-N IUPAC Name: phosphoric acid diamine SMILES: N.N.OP(O)(O)=O
CAS | 7783-28-0 |
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Molecular Weight (g/mol) | 132.06 |
MDL Number | MFCD00010891 |
SMILES | N.N.OP(O)(O)=O |
IUPAC Name | phosphoric acid diamine |
InChI Key | MNNHAPBLZZVQHP-UHFFFAOYSA-N |
Molecular Formula | H9N2O4P |
CAS: 8001-54-5 Molecular Formula: C9H13ClN Molecular Weight (g/mol): 170.66 SMILES: [Cl-].C[N+](C)(*)CC1=CC=CC=C1
CAS | 8001-54-5 |
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Molecular Weight (g/mol) | 170.66 |
SMILES | [Cl-].C[N+](C)(*)CC1=CC=CC=C1 |
Molecular Formula | C9H13ClN |
CAS: 12135-76-1,7732-18-5 Molecular Formula: H8N2S Molecular Weight (g/mol): 68.14 MDL Number: MFCD00010892 InChI Key: UXXGWUQNRMPNKH-UHFFFAOYSA-N IUPAC Name: diamine sulfane SMILES: N.N.S
CAS | 12135-76-1,7732-18-5 |
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Molecular Weight (g/mol) | 68.14 |
MDL Number | MFCD00010892 |
SMILES | N.N.S |
IUPAC Name | diamine sulfane |
InChI Key | UXXGWUQNRMPNKH-UHFFFAOYSA-N |
Molecular Formula | H8N2S |
CAS: 77-92-9 Molecular Formula: C6H8O7 Molecular Weight (g/mol): 192.12 MDL Number: MFCD00011669 InChI Key: KRKNYBCHXYNGOX-UHFFFAOYSA-N IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O
CAS | 77-92-9 |
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Molecular Weight (g/mol) | 192.12 |
MDL Number | MFCD00011669 |
SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O |
IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid |
InChI Key | KRKNYBCHXYNGOX-UHFFFAOYSA-N |
Molecular Formula | C6H8O7 |
CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N IUPAC Name: benzoic acid SMILES: OC(=O)C1=CC=CC=C1
CAS | 65-85-0 |
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Molecular Weight (g/mol) | 122.12 |
SMILES | OC(=O)C1=CC=CC=C1 |
IUPAC Name | benzoic acid |
InChI Key | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
Molecular Formula | C7H6O2 |
CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N IUPAC Name: benzoic acid SMILES: OC(=O)C1=CC=CC=C1
CAS | 65-85-0 |
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Molecular Weight (g/mol) | 122.12 |
SMILES | OC(=O)C1=CC=CC=C1 |
IUPAC Name | benzoic acid |
InChI Key | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
Molecular Formula | C7H6O2 |
CAS: 29122-68-7 Molecular Formula: C14H22N2O3 Molecular Weight (g/mol): 266.34 InChI Key: METKIMKYRPQLGS-UHFFFAOYNA-N IUPAC Name: 2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide SMILES: CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1
CAS | 29122-68-7 |
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Molecular Weight (g/mol) | 266.34 |
SMILES | CC(C)NCC(O)COC1=CC=C(CC(N)=O)C=C1 |
IUPAC Name | 2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide |
InChI Key | METKIMKYRPQLGS-UHFFFAOYNA-N |
Molecular Formula | C14H22N2O3 |
CAS: 7727-43-7 Molecular Formula: BaO4S Molecular Weight (g/mol): 233.38 MDL Number: MFCD00003455 InChI Key: TZCXTZWJZNENPQ-UHFFFAOYSA-L IUPAC Name: barium(2+) sulfate SMILES: [Ba++].[O-]S([O-])(=O)=O
CAS | 7727-43-7 |
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Molecular Weight (g/mol) | 233.38 |
MDL Number | MFCD00003455 |
SMILES | [Ba++].[O-]S([O-])(=O)=O |
IUPAC Name | barium(2+) sulfate |
InChI Key | TZCXTZWJZNENPQ-UHFFFAOYSA-L |
Molecular Formula | BaO4S |
CAS: 813-93-4 Molecular Formula: C6H5BiO7 Molecular Weight (g/mol): 398.08 InChI Key: ANERHPOLUMFRDC-UHFFFAOYSA-K IUPAC Name: bismuth(3+) 2-hydroxypropane-1,2,3-tricarboxylate SMILES: [Bi+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
CAS | 813-93-4 |
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Molecular Weight (g/mol) | 398.08 |
SMILES | [Bi+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
IUPAC Name | bismuth(3+) 2-hydroxypropane-1,2,3-tricarboxylate |
InChI Key | ANERHPOLUMFRDC-UHFFFAOYSA-K |
Molecular Formula | C6H5BiO7 |
CAS: 373-57-9 Molecular Formula: BF3 Molecular Weight (g/mol): 67.81 MDL Number: MFCD00011316 InChI Key: WTEOIRVLGSZEPR-UHFFFAOYSA-N IUPAC Name: trifluoroborane SMILES: FB(F)F
CAS | 373-57-9 |
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Molecular Weight (g/mol) | 67.81 |
MDL Number | MFCD00011316 |
SMILES | FB(F)F |
IUPAC Name | trifluoroborane |
InChI Key | WTEOIRVLGSZEPR-UHFFFAOYSA-N |
Molecular Formula | BF3 |
CAS: 471-34-1 Molecular Formula: CCaO3 Molecular Weight (g/mol): 100.09 MDL Number: MFCD00010906 InChI Key: VTYYLEPIZMXCLO-UHFFFAOYSA-L IUPAC Name: calcium carbonate SMILES: [Ca++].[O-]C([O-])=O
CAS | 471-34-1 |
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Molecular Weight (g/mol) | 100.09 |
MDL Number | MFCD00010906 |
SMILES | [Ca++].[O-]C([O-])=O |
IUPAC Name | calcium carbonate |
InChI Key | VTYYLEPIZMXCLO-UHFFFAOYSA-L |
Molecular Formula | CCaO3 |