(E)-4-(3-Amino-2-cyano-3-oxoprop-1-en-1-yl)benzoic acid
4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]benzoic acid
Also Known As: (E)-4-(3-Amino-2-cyano-3-oxoprop-1-en-1-yl)benzoic acid|4-[(E)-2-carbamoyl-2-cyano-ethenyl]benzoic Acid|4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]benzoic acid
CAS: 97006-45-6
| Molecular Formula | C11H8N2O3 |
|---|---|
| Molecular Weight | 216.0535 g/mol |
| LogP | 0.77708 |
| Topological Polar Surface Area | 104.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.0535 |
| Monoisotopic Mass | 216.0535 |
| Heavy Atoms | 16 |
| Complexity | 494.95612 |
Chemical Identifiers
| CAS Number | 97006-45-6 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C(\C#N)/C(=O)N)C(=O)O |
Product Overview
(E)-4-(3-Amino-2-cyano-3-oxoprop-1-en-1-yl)benzoic acid (CAS 97006-45-6), with molecular formula C11H8N2O3 and molecular weight 216.0535 g/mol. IUPAC: 4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]benzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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(E)-4-(3-Amino-2-cyano-3-oxoprop-1-en-1-yl)benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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