4-Acetamido-3-formylbenzoic acid
Basic information
- CAS
186800-77-1- Standard SMILES
CC(=O)Nc1ccc(C(=O)O)cc1C=O- InChIKey
HYJJBMPJLGFVEN-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
Names & identifiers
- Preferred name
- 4-Acetamido-3-formylbenzoic acid
- IUPAC
- 4-acetamido-3-formylbenzoic acid
- English name
- Benzoic acid, 4-(acetylamino)-3-formyl- (9CI)
- Molecular formula
- C10H9NO4
- Molecular weight
- 207.18276
Names & synonyms
4-Acetamido-3-formylbenzoic acid186800-77-1Acedoben Impurity 10Benzoic acid, 4-(acetylamino)-3-formyl-DB-285653EN300-9845658Cyclohexane Impurity 12Benzoic acid, 4-(acetylamino)-3-formyl- (9CI)
Database identifiers
- CAS
186800-77-1
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
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Compound notes
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