Benzoic acid, 2-acetyl-6-amino-4-hydroxy-
Basic information
- CAS
773098-92-3- Standard SMILES
CC(=O)c1cc(O)cc(N)c1C(=O)O- InChIKey
NJMNLIOSKMCQRY-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
Names & identifiers
- Preferred name
- Benzoic acid, 2-acetyl-6-amino-4-hydroxy-
- IUPAC
- 2-acetyl-6-amino-4-hydroxybenzoic acid
- English name
- Benzoic acid, 2-acetyl-6-amino-4-hydroxy- (9CI)
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
773098-92-3AKOS006291976DB-285607BENZOIC ACID, 2-ACETYL-6-AMINO-4-HYDROXY-Benzoic acid, 2-acetyl-6-amino-4-hydroxy- (9CI)
Database identifiers
- CAS
773098-92-3
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 493.1 · 493.1±45.0 °C(Predicted)
- Density
- 1.454 · 1.454±0.06 g/cm3(Predicted)
- pka
- 5.24 · 5.24±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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