α-Oxobenzenebutanoic acid
Properties
- Molecular formula
- C10H10O3
- Molar mass
- 178.19 g/mol
- Exact mass
- 178.0630 Da
- Melting point
- 98 °C
- logP
- 1.27Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 4
Hazards
Danger
- H315 Causes skin irritation75% of notifiers
- H318 Causes serious eye damage25% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H335 May cause respiratory irritation25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
710-11-2SMILES
O=C(O)C(=O)CCc1ccccc1InChIKey
PPKAIMDMNWBOKN-UHFFFAOYSA-NInChI
InChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzenebutanoic acid, α-oxo-
- Butyric acid, 2-oxo-4-phenyl-
- Benzylpyruvic acid
- 2-Oxo-4-phenylbutanoic acid
- 2-Oxo-4-phenylbutyric acid
- 4-Phenyl-2-oxobutyric acid
- 4-Phenyl-2-oxobutanoic acid
Work with α-Oxobenzenebutanoic acid
Similar compounds
Phenylpyruvic acid156-06-969 % similar
Phenylpropanoic acid501-52-057 % similar
4-Phenylbutyric acid1821-12-150 % similar
2-Benzylacrylic acid5669-19-250 % similar
2-Benzylacrylic acid62479-28-150 % similar
Ethyl alpha-oxobenzenebutanoate64920-29-249 % similar
Benzenepentanoic acid2270-20-448 % similar
9-Phenylnonanoic acid16269-06-047 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.