Phenylglyoxylic acid
Properties
- Molecular formula
- C8H6O3
- Molar mass
- 150.13 g/mol
- Exact mass
- 150.0317 Da
- Melting point
- 66 °C
- Boiling point
- 163 °C
- logP
- 0.95Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation98% of notifiers
- H319 Causes serious eye irritation98% of notifiers
- H335 May cause respiratory irritation94.1% of notifiers
Aggregated from 51 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
611-73-4SMILES
O=C(O)C(=O)c1ccccc1InChIKey
FAQJJMHZNSSFSM-UHFFFAOYSA-NInChI
InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
15 names · show all
- Benzeneacetic acid, α-oxo-
- Glyoxylic acid, phenyl-
- α-Oxobenzeneacetic acid
- Benzoylformic acid
- Formic acid, benzoyl-
- Phenylgloxylic acid
- Oxophenylacetic acid
- α-Ketophenylacetic acid
- 2-Oxo-2-phenylacetic acid
- Phenyloxoacetic acid
- NSC 28293
- 2-Oxo-2-phenylethanoic acid
- CAA 0869
- LFC 1849
- 2-Oxo-2-phenylacetate
Reactions
Work with Phenylglyoxylic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Benzil134-81-664 % similar
1,4-Bis(phenylglyoxaloyl)benzene3363-97-161 % similar
α-Phenylacrylic acid492-38-657 % similar
Alpha-phenylcinnamic acid91-48-552 % similar
1-Phenyl-1,2-propanedione579-07-750 % similar
Benzoic acid65-85-050 % similar
2-Thiopheneglyoxylic acid4075-59-648 % similar
1-(4-Chlorophenyl)-2-phenyl-1,2-ethanedione22711-23-548 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds