chempirical

Methyl 3-(4-formylphenyl)-2-propenoate

C11H10O3CAS 7560-50-1190.20 g/mol

Open in Covalent MOL file
OOO
AldehydeAlkeneEster

Properties

Molecular formula
C11H10O3
Molar mass
190.20 g/mol
Exact mass
190.0630 Da
Melting point
79–81 °C
logP
1.69Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
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
7560-50-1
SMILES
COC(=O)C=Cc1ccc(C=O)cc1
InChIKey
KVXMLLMZXPRPNG-UHFFFAOYSA-N
InChI
InChI=1S/C11H10O3/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-8H,1H3

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Names and synonyms

6 names
  • 2-Propenoic acid, 3-(4-formylphenyl)-, methyl ester
  • Cinnamic acid, p-formyl-, methyl ester
  • Methyl p-formylcinnamate
  • Methyl 4-formylcinnamate
  • 3-(4-Formylphenyl)acrylic acid methyl ester
  • Methyl 3-(4-formylphenyl)acrylate

Work with Methyl 3-(4-formylphenyl)-2-propenoate

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 (2E)-3-(4-methylphenyl)-2-propenoate20754-20-570 % similar Methyl cinnamate103-26-469 % similar Methyl 4-hydroxycinnamate19367-38-568 % similar Methyl p-coumarate3943-97-368 % similar Methyl 3-(4-chlorophenyl)-2-propenoate7560-44-368 % similar 4-Methoxycinnamate methyl ester832-01-968 % similar Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate946-99-662 % similar Methyl caffeate3843-74-158 % similar

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

Same formula

(2E)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid20972-36-5 7-Methoxy-4-methylcoumarin2555-28-4 7-Ethoxycoumarin31005-02-4 Heliotropyl acetone3160-37-0 2-Benzofurancarboxylic acid ethyl ester3199-61-9 4-Ethoxycoumarin35817-27-7 1-(7-Methoxy-2-benzofuranyl)ethanone43071-52-9 6-Methoxy-4-methylcoumarin6295-35-8

Elsewhere

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