chempirical

3-(4-Methoxybenzoyl)acrylic acid

C11H10O4CAS 5711-41-1206.20 g/mol

Open in Covalent MOL file
OOOOH
AlkeneCarboxylic acidEtherKetone

Properties

Molecular formula
C11H10O4
Molar mass
206.20 g/mol
Exact mass
206.0579 Da
logP
1.52Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

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
5711-41-1
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C(=O)O
InChIKey
WORYXBDHTBWLLL-VOTSOKGWSA-N
InChI
InChI=1S/C11H10O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+

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Names and synonyms

1 names
  • trans-3-(4-Methoxybenzoyl)acrylic acid

Work with 3-(4-Methoxybenzoyl)acrylic acid

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

(2E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid80937-23-167 % similar 4-Methoxycinnamic acid830-09-167 % similar trans-4-Methoxycinnamic acid943-89-567 % similar (2E)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid20972-36-564 % similar 4,4′-Dimethoxychalcone2373-89-964 % similar 4-Oxo-4-phenyl-2-butenoic acid583-06-260 % similar (2E)-4-(4-Chlorophenyl)-4-oxo-2-butenoic acid6269-33-659 % similar 4′-Methoxychalcone959-23-959 % similar

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

Same formula

Scoparone120-08-1 3-[4-(Acetyloxy)phenyl]-2-propenoic acid15486-19-8 (3E)-4-(1,3-Benzodioxol-4-yl)-3-butenoic acid184360-97-2 7-Ethoxybenzofuran-2-carboxylic acid206559-61-7 Citropten487-06-9 3-[2-(Acetyloxy)phenyl]-2-propenoic acid55620-18-3

Elsewhere

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