4-Hydroxy-3-phenylbutanoic acid
Basic information
- CAS
27885-87-6- Standard SMILES
O=C(O)CC(CO)c1ccccc1- InChIKey
SNIJITOETJVRFY-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 4-Hydroxy-3-phenylbutanoic acid
- IUPAC
- 4-hydroxy-3-phenylbutanoic acid
Names & synonyms
3-Phenyl-4-hydroxybutyric acid4-hydroxy-3-phenylbutanoic acid44U4C8Y32T27885-87-6UNII-44U4C8Y32Tbeta-Phenyl-gamma-hydroxybutyric acidbeta-(Hydroxymethyl)benzenepropanoic acidHydrocinnamic acid, beta-(hydroxymethyl)-Benzenepropanoic acid, beta-(hydroxymethyl)-CHEMBL172516SCHEMBL3728800.BETA.-(HYDROXYMETHYL)BENZENEPROPANOIC ACID
Show more names
.BETA.-PHENYL-.GAMMA.-HYDROXYBUTYRIC ACIDHYDROCINNAMIC ACID, .BETA.-(HYDROXYMETHYL)-BENZENEPROPANOIC ACID, .BETA.-(HYDROXYMETHYL)-
Database identifiers
- CAS
27885-87-6- PubChem CID
- 38719
- ChEMBL
CHEMBL172516- UNII
- 44U4C8Y32T
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…