Ethyl 2-methyl-β-oxobenzenepropanoate

C12H14O3CAS 51725-82-7206.24 g/mol

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Properties

Molecular formula
C12H14O3
Molar mass
206.24 g/mol
Exact mass
206.0943 Da
Boiling point
103–105 °C (at 0.4 Torr)
logP
2.13Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

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

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Identifiers

CAS number
51725-82-7
SMILES
CCOC(=O)CC(=O)c1ccccc1C
InChIKey
UNULPFKXRJPSCO-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O3/c1-3-15-12(14)8-11(13)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3

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Names and synonyms

10 names
  • Benzenepropanoic acid, 2-methyl-β-oxo-, ethyl ester
  • Ethyl 2-methylbenzoylacetate
  • Ethyl o-methylbenzoylacetate
  • Ethyl o-toluoylacetate
  • Ethyl 3-(2-methylphenyl)-3-oxopropanoate
  • Ethyl 2-(2-methylbenzoyl)acetate
  • Ethyl 3-oxo-3-(o-tolyl)propanoate
  • 3-(2-Methylphenyl)-3-oxopropanoic acid ethyl ester
  • 3-Oxo-3-o-tolyl-propionic acid ethyl ester
  • Ethyl 2-methyl-beta-oxobenzenepropanoate

Work with Ethyl 2-methyl-β-oxobenzenepropanoate

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

3-(2-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester1479-24-968 % similar Ethyl 3-(naphthalen-8-yl)-3-oxopropanoate62071-76-566 % similar Ethyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate89424-17-964 % similar Ethyl benzoylacetate94-02-063 % similar Ethyl 2-methylbenzoate87-24-161 % similar o-Tolylacetic acid ethyl ester40291-39-257 % similar Ethyl 3-(2-furyl)-3-oxopropanoate615-09-857 % similar Ethyl 3-oxo-3-(pyridin-2-yl)propanoate26510-52-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-2 Ethyl 4-(3-oxopropyl)benzoate151864-81-2 Ethyl methoxycinnamate24393-56-4 3-Oxo-3-P-tolyl-propionic acid ethyl ester27835-00-3 3-Oxo-3-M-tolyl-propionic acid ethyl ester33166-79-9 4-(p-Acetoxyphenyl)-2-butanone3572-06-3 5-Benzoylvaleric acid4144-62-1 Benzyl 3-hydroxycyclobutane-1-carboxylate480449-99-8

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