chempirical

3-(4-Formylphenyl)-2-propenoic acid

C10H8O3CAS 23359-08-2176.17 g/mol

Open in Covalent MOL file
OOOH
AldehydeAlkeneCarboxylic acid

Properties

Molecular formula
C10H8O3
Molar mass
176.17 g/mol
Exact mass
176.0473 Da
Melting point
above 250 °C
logP
1.60Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
23359-08-2
SMILES
O=Cc1ccc(C=CC(=O)O)cc1
InChIKey
LBOUHDMYVURTMA-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O3/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-7H,(H,12,13)

Weigh it out

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

Names and synonyms

6 names
  • 2-Propenoic acid, 3-(4-formylphenyl)-
  • p-Formylcinnamic acid
  • 4-Formylcinnamic acid
  • 3-(4-Formylphenyl)acrylic acid
  • NSC 74480
  • Cinnamic acid, p-formyl-

Work with 3-(4-Formylphenyl)-2-propenoic 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

P-Phenylenediacrylic acid16323-43-680 % similar P-Coumaric acid501-98-467 % similar P-Coumaric acid7400-08-067 % similar Cinnamic acid140-10-366 % similar Cinnamic acid621-82-966 % similar 4-Bromocinnamic acid1200-07-365 % similar trans-4-Fluorocinnamic acid14290-86-965 % similar 4-Chlorocinnamic acid1615-02-765 % similar

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

Same formula

Phenylsuccinic anhydride1131-15-3 2-Formylcinnamic acid130036-17-8 4-Hydroxy-6-methylcoumarin13252-83-0 6-Hydroxy-4-methylcoumarin2373-31-1 3-Oxo-1-indancarboxylic acid29427-69-8 Herniarin531-59-9 4-Oxo-4-phenyl-2-butenoic acid583-06-2 4-Methylumbelliferone90-33-5

Elsewhere

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