chempirical

Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate

C12H14O4CAS 2881-83-6222.24 g/mol

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Properties

Molecular formula
C12H14O4
Molar mass
222.24 g/mol
Exact mass
222.0892 Da
Density
1.1753 g/mL (at 0 °C)
Boiling point
180–190 °C (at NaN Torr)
logP
1.83Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Hazards

Not classified as hazardous under GHS by 14 ECHA notifiers. Aggregated from 14 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
2881-83-6
SMILES
CCOC(=O)CC(=O)c1ccc(OC)cc1
InChIKey
KRAHENMBSVAAHD-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O4/c1-3-16-12(14)8-11(13)9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3

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

Names and synonyms

15 names · show all
  • Benzenepropanoic acid, 4-methoxy-β-oxo-, ethyl ester
  • Acetic acid, p-anisoyl-, ethyl ester
  • Ethyl p-anisoylacetate
  • 2-(p-Methoxybenzoyl)acetic acid ethyl ester
  • Ethyl (4-methoxybenzoyl)acetate
  • Ethyl (p-methoxybenzoyl)acetate
  • NSC 69701
  • 4-Methoxy-β-oxobenzenepropanoic acid ethyl ester
  • Ethyl 2-(4-methoxybenzoyl)acetate
  • Ethyl 3-(4-methoxyphenyl)-3-oxopropionate
  • 3-(4-Methoxyphenyl)-3-oxo-propionic acid ethyl ester
  • (4-Methoxybenzoyl)acetic acid ethyl ester
  • 3-(4-Methoxyphenyl)-3-oxopropanoic acid ethyl ester
  • 3-Oxo-3-(4-methoxyphenyl)propanoic acid ethyl ester
  • Benzenepropanoic acid, 4-methoxy-beta-oxo-, ethyl ester

Work with Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate

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

Methyl 4-methoxy-β-oxobenzenepropanoate22027-50-570 % similar 3-Oxo-3-P-tolyl-propionic acid ethyl ester27835-00-368 % similar 3-(3,4-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester4687-37-068 % similar Ethyl benzoylacetate94-02-068 % similar Ethyl 4-fluoro-β-oxobenzenepropanoate1999-00-467 % similar Ethyl 3-(4-bromophenyl)-3-oxopropanoate26510-95-267 % similar 3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester2881-63-267 % similar Ethyl 3-(4-pyridyl)-3-oxopropionate26377-17-364 % similar

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

Same formula

Diglycidyl resorcinol ether101-90-6 Monobutyl phthalate131-70-4 Vanillin isobutyrate20665-85-4 5-tert-Butylisophthalic acid2359-09-3 1,4-Bis(2,3-epoxypropoxy)benzene2425-01-6 2-Oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl Methacrylate254900-07-7 3-(3-Methoxy-phenyl)-3-oxo-propionic acid ethyl ester27834-99-7 tert-Butyl hydrogen phthalate33693-84-4

Elsewhere

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