Basic information
- Standard SMILES
COc1ccc(C(O)CC(=O)O)cc1- InChIKey
XMBIPIXMXHNYNB-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- 3-Hydroxy-3-(4-methoxyphenyl)propanoic acid
- IUPAC
- 3-hydroxy-3-(4-methoxyphenyl)propanoic acid
Names & synonyms
3-hydroxy-3-(4-methoxyphenyl)propanoic acid51410-49-2Benzenepropanoic acid, beta-hydroxy-4-methoxy-SCHEMBL4478662XMBIPIXMXHNYNB-UHFFFAOYSA-NMFCD16304253AKOS011682786AS-960483-Hydroxy-3-(4-methoxyphenyl)propanoicacidG73275EN300-1856311F982692
Database identifiers
- PubChem CID
- 14927307
- Nikkaji
- J2.358.709B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Related reactions
2 records
Compound notes
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