Basic information
- CAS
65245-10-5- Standard SMILES
O=C(CC(O)C(=O)O)c1ccccc1- InChIKey
COFAOIWBTJSSPD-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- 2-Hydroxy-4-oxo-4-phenylbutanoic acid
- IUPAC
- 2-hydroxy-4-oxo-4-phenylbutanoic acid
- English name
- BENZOYL LACTIC ACID
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
2-hydroxy-4-oxo-4-phenylbutanoic acid65245-10-52-Hydroxy-4-oxo-4-phenyl-butyric acid3-Benzoyl-2-hydroxypropionic acidCHEMBL177826(alphaR)-alpha-Hydroxy-gamma-oxo-benzenebutanoic-d5 AcidQNM7FSK8EJalpha-Hydroxy-gamma-oxobenzenebutanoic acid2-(S)-HYDROXY-4-OXO-4-PHENYL-BUTYRIC ACIDSCHEMBL4967701DTXSID309838523-benzoyl-2-hydroxy-propionic acid
Show more names
BENZOYL LACTIC ACIDα-Hydroxy-γ-oxobenzenebutanoic acid2-Hydroxy-4-oxo-4-phenylbutyric acidBenzenebutanoic acid, α-hydroxy-γ-oxo-
EINECS 265-659-0BDBM50137857SB848482-hydroxy-4-oxo-4-phenyl-butanoic acidDB-054785NS00056900Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-
Database identifiers
- CAS
65245-10-5- PubChem CID
- 516699
- DTXSID
DTXSID30983852- ChEMBL
CHEMBL177826- UNII
- QNM7FSK8EJ
- EC Number
- 265-659-0
- Nikkaji
- J307.355F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 125 · 125-125.5 °C
- Boiling point
- 437.1 · 437.1±35.0 °C(Predicted)
- Density
- 1.325 · 1.325±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.59 · 3.59±0.23(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
Apin Chemicals Limited (UK)[email protected]
Carbone Scientific CO., LTD[email protected]
APIN-NP[email protected]
ASDI-INTER[email protected]
3B Scientific Corporation[email protected]
Related reactions
2 records
Compound notes
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