Methyl phenylglyoxylate

C₉H₈O₃CAS 15206-55-0164.16 g/mol

Open in Covalent MOL file

Ester Ketone

Properties

Molecular formula: C₉H₈O₃
Molar mass: 164.16 g/mol
Exact mass: 164.0473 Da
Boiling point: 254.6–255.6 °C (at 756 Torr)
logP: 1.04Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation26.4% of notifiers
H317 May cause an allergic skin reaction56.1% of notifiers
H319 Causes serious eye irritation26.8% of notifiers
H335 May cause respiratory irritation26.4% of notifiers

Aggregated from 280 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15206-55-0

SMILES

COC(=O)C(=O)c1ccccc1

InChIKey

YLHXLHGIAMFFBU-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

35 names · show all

Benzeneacetic acid, α-oxo-, methyl ester
Glyoxylic acid, phenyl-, methyl ester
Phenylglyoxylic acid methyl ester
Methyl benzoylformate
Methyl oxophenylacetate
Methyl phenylglyoxalate
Methyl phenyloxoacetate
Vicure 55
Methyl α-oxobenzeneacetate
α-Oxobenzeneacetic acid methyl ester
Methyl 2-oxo-2-phenylacetate
NSC 171206
NSC 409881
Darocur MBF
Methyl phenyl-α-oxoacetate
Benzoylformic acid methyl ester
Darocur MB
2-Oxo-2-phenylacetic acid methyl ester
Methyl 2-phenyl-2-oxoacetate
Speedcure MBF
Genocure MBF
Methoxycarbonyl phenyl ketone
MBF
Irgacure MBF
JRCure 1055
IHT-PI MBF
Doublecure 200
PI 55
MBF 1055
SB-PI 716
Photoinitiator MBF
Gencure MBF
Omnirad MBF
Micure MBF
Chemcure 55

Work with Methyl phenylglyoxylate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl benzoylformate1603-79-859 % similar Benzil134-81-656 % similar Methyl benzoate93-58-355 % similar 1,4-Bis(phenylglyoxaloyl)benzene3363-97-154 % similar Methyl indolyl-3-glyoxylate18372-22-050 % similar 1-Phenyl-1,2-propanedione579-07-750 % similar Methyl 2-benzylprop-2-enoate3070-71-147 % similar Phenylglyoxylic acid611-73-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Carbic anhydride129-64-6 trans-3-Hydroxycinnamic acid14755-02-3 Phenylpyruvic acid156-06-9 Methyl 4-formylbenzoate1571-08-0 2,3-Dihydrobenzofuran-2-carboxylic acid1914-60-9 Himic anhydride2746-19-2 7-Methoxy-3H-isobenzofuran-1-one28281-58-5 2,3-Dihydro-1,4-benzodioxin-6-carbaldehyde29668-44-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook