5-Amino-2-hydroxy-3-(1-oxopropyl)benzoic acid
Basic information
- CAS
101371-47-5- Standard SMILES
CCC(=O)c1cc(N)cc(C(=O)O)c1O- InChIKey
BYIMBHWPPIBRHQ-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 5-Amino-2-hydroxy-3-(1-oxopropyl)benzoic acid
- IUPAC
- 5-amino-2-hydroxy-3-propanoylbenzoic acid
Names & synonyms
5-Amino-2-hydroxy-3-(1-oxopropyl)benzoic acid101371-47-5DTXSID5012514155-Amino-2-hydroxy-3-propanoylbenzoic acid
Database identifiers
- CAS
101371-47-5- PubChem CID
- 85525065
- DTXSID
DTXSID501251415
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
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Compound notes
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