2-Acetyl-6-aminobenzoic acid
Basic information
- CAS
103440-81-9- Standard SMILES
CC(=O)c1cccc(N)c1C(=O)O- InChIKey
JBTKGJYTOISBEZ-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- 2-Acetyl-6-aminobenzoic acid
- IUPAC
- 2-acetyl-6-aminobenzoic acid
Names & synonyms
2-acetyl-6-aminobenzoic acid2-amino-6-acetylbenzoic acid103440-81-9SCHEMBL7833293SCHEMBL31024653JBTKGJYTOISBEZ-UHFFFAOYSA-NDTXSID101309042
Database identifiers
- CAS
103440-81-9- PubChem CID
- 19089401
- DTXSID
DTXSID101309042
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
Related reactions
2 records
Compound notes
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