2-Hydroxy-3-(1-phenylethyl)benzoic acid
Basic information
- CAS
92549-31-0- Standard SMILES
CC(c1ccccc1)c1cccc(C(=O)O)c1O- InChIKey
DZZPJWJPJJNWHM-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- 2-Hydroxy-3-(1-phenylethyl)benzoic acid
- IUPAC
- 2-hydroxy-3-(1-phenylethyl)benzoic acid
Names & synonyms
2-Hydroxy-3-(1-phenylethyl)benzoic acid185160-22-992549-31-0SCHEMBL312797DTXSID901358817
Database identifiers
- CAS
92549-31-0- PubChem CID
- 17828013
- DTXSID
DTXSID901358817- Nikkaji
- J2.299.292I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-hydroxy-3-(1-phenylethyl)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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