COC(=O)C(=O)C1=CC=CC=C1
CAS: 15206-55-0
Name: methyl 2-oxo-2-phenylacetate
SMILES: COC(=O)C(=O)C1=CC=CC=C1

Molecular Processing

Molecular formula
C9H8O3
Molecular weight
164.16
Exact mass
164.0473
XLogP
1.04
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
42.79

Supplementary Information

InChIKey: YLHXLHGIAMFFBU-UHFFFAOYSA-N
Synonyms
Methyl benzoylformate15206-55-0methyl 2-oxo-2-phenylacetateMethyl phenylglyoxalateMethyl oxophenylacetateMethyl phenylglyoxylateBenzoylformic acid methyl esterPhenylglyoxylic acid methyl esterPhenylglyoxylic acid, methyl esterBenzeneacetic acid, .alpha.-oxo-, methyl estermethyl oxo(phenyl)acetateGlyoxylic acid, phenyl-, methyl esterNSC 171206alpha-oxobenzeneacetic acid methyl ester23F2045STGBenzeneacetic acid, alpha-oxo-, methyl esterEINECS 239-263-3NSC-171206NSC-4098812-Oxo-2-phenylacetic acid methyl esterMETHYL PHENYLOXOACETATEAI3-07037DTXSID9065867CHEBI:84256EC 239-263-3METHOXYCARBONYL PHENYL KETONEMETHYL 2-PHENYL-2-OXOACETATEMETHYL .ALPHA.-OXOBENZENEACETATEMETHYL PHENYL-.ALPHA.-OXOACETATERefChem:818042
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Involved in 44 reactions→

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