chempirical

Methyl 2-methyl-3-phenyloxirane-2-carboxylate

C11H12O3CAS 80532-66-7192.21 g/mol

Open in Covalent MOL file
OOO
EpoxideEsterEther

Properties

Molecular formula
C11H12O3
Molar mass
192.21 g/mol
Exact mass
192.0786 Da
logP
1.69Crippen estimate
Polar surface area
38.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
80532-66-7
SMILES
CC1(C(O1)C2=CC=CC=C2)C(=O)OC
InChIKey
CPPPKJUXIISPJL-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O3/c1-11(10(12)13-2)9(14-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3

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Names and synonyms

1 names
  • Bmk methyl glycidate

Work with Methyl 2-methyl-3-phenyloxirane-2-carboxylate

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

Bmk glycidic acid25547-51-762 % similar Pmk glycidate13605-48-659 % similar Methyl benzilate76-89-145 % similar Methyl α-phenylbenzeneacetate3469-00-945 % similar Methyl (R)-(-)-mandelate20698-91-341 % similar Methyl (2S)-2-hydroxy-2-phenylacetate21210-43-541 % similar (±)-Methyl mandelate4358-87-641 % similar Pmk ethyl glycidate28578-16-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dehydrozingerone1080-12-2 Helional1205-17-0 Ethyl 3-phenylglycidate121-39-1 (3-Methoxyphenyl)methyl 2-propenoate144261-46-1 δ-Oxobenzenepentanoic acid1501-05-9 Methyl 2-phenylacetoacetate16648-44-5 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-1 5,6-Dimethoxy-1-indanone2107-69-9

Elsewhere

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