Ethyl benzalmalonate

C₁₂H₁₁O₄⁻CAS 24302-10-1219.22 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ester

Properties

Molecular formula: C₁₂H₁₁O₄⁻
Molar mass: 219.22 g/mol
Exact mass: 219.0657 Da
logP: 0.38Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 0 / 4
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

24302-10-1

SMILES

CCOC(=O)C(=CC1=CC=CC=C1)C(=O)[O-]

InChIKey

BHKULYKFSYZBQR-UHFFFAOYSA-M

InChI

InChI=1S/C12H12O4/c1-2-16-12(15)10(11(13)14)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)/p-1

Weigh it out

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

Names and synonyms

2 names

2-Ethoxycarbonyl-3-phenylprop-2-enoate
2-(Ethoxycarbonyl)-3-phenylprop-2-enoate

Reactions

ETHYL BENZALMALONATE (Malonic acid, benzal-, diethyl ester)product

Work with Ethyl benzalmalonate

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

Diethyl benzylidenemalonate5292-53-578 % similar Diethyl 2-(4-(benzyloxy)benzylidene)malonate53361-40-357 % similar Ethyl benzoylformate1603-79-848 % similar Ethyl cinnamate103-36-645 % similar Ethyl oxanilate1457-85-844 % similar Ethyl alpha-oxobenzenebutanoate64920-29-244 % similar (Carbethoxyethylidene)triphenylphosphorane5717-37-343 % similar Ethyl 3-cyano-3-phenylpyruvate6362-63-643 % similar

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

Elsewhere

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