chempirical

Methyl 3-benzoylpropionate

C11H12O3CAS 25333-24-8192.21 g/mol

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Properties

Molecular formula
C11H12O3
Molar mass
192.21 g/mol
Exact mass
192.0786 Da
logP
1.82Crippen 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. Search the SDS library

Identifiers

CAS number
25333-24-8
SMILES
COC(=O)CCC(=O)C1=CC=CC=C1
InChIKey
XVRCVKWYKYJEIG-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

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Names and synonyms

1 names
  • Benzenebutanoic acid, gamma-oxo-, methyl ester

Work with Methyl 3-benzoylpropionate

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

1,4-Diphenyl-1,4-butanedione495-71-664 % similar Methyl 3-phenylpropionate103-25-361 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-055 % similar Butyrophenone495-40-955 % similar N-(3-Methoxy-3-oxopropyl)-N-phenyl-β-alanine methyl ester53733-94-154 % similar Methyl N-(diphenylmethylidene)glycinate81167-39-754 % similar Dimethyl succinate106-65-054 % similar Methyl phenylacetate101-41-753 % 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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