chempirical

Pmk ethyl glycidate

C13H14O5CAS 28578-16-7250.25 g/mol

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AcetalEpoxideEsterEther

Properties

Molecular formula
C13H14O5
Molar mass
250.25 g/mol
Exact mass
250.0841 Da
logP
1.81Crippen estimate
Polar surface area
57.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

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
28578-16-7
SMILES
CCOC(=O)C1(C(O1)C2=CC3=C(C=C2)OCO3)C
InChIKey
BRILFEZHPXQINW-UHFFFAOYSA-N
InChI
InChI=1S/C13H14O5/c1-3-15-12(14)13(2)11(18-13)8-4-5-9-10(6-8)17-7-16-9/h4-6,11H,3,7H2,1-2H3

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Names and synonyms

1 names
  • Ethyl 3-(2H-1,3-benzodioxol-5-yl)-2-methyloxirane-2-carboxylate

Work with Pmk ethyl glycidate

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

Pmk glycidate13605-48-674 % similar Ethyl 3-(2H-1,3-benzodioxol-5-yl)-3-oxopropanoate81581-27-343 % similar Methyl 2-methyl-3-phenyloxirane-2-carboxylate80532-66-741 % similar 3′,4′-Methylenedioxymandelic acid27738-46-140 % similar 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid72071-75-138 % similar 3,4-Methylenedioxypropiophenone28281-49-437 % similar Ethyl 2-phenylisobutyrate2901-13-537 % similar Piperonyl isobutyrate5461-08-536 % similar

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

Same formula

1-[4-(Acetyloxy)-3-[(acetyloxy)methyl]phenyl]ethanone24085-06-1 4-(3-(Acryloyloxy)propoxy)benzoic acid245349-46-6 Citrinin518-75-2 1,3-Dimethyl 2-[(4-methoxyphenyl)methylene]propanedioate7443-25-6

Elsewhere

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