chempirical

5-Phenyl-2,4-pentadienoic acid

C11H10O2CAS 1552-94-9174.20 g/mol

Open in Covalent MOL file
OHO
AlkeneCarboxylic acid

Properties

Molecular formula
C11H10O2
Molar mass
174.20 g/mol
Exact mass
174.0681 Da
Melting point
165 °C
logP
2.34Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
1552-94-9
SMILES
O=C(O)C=CC=Cc1ccccc1
InChIKey
FEIQOMCWGDNMHM-UHFFFAOYSA-N
InChI
InChI=1S/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-9H,(H,12,13)

Weigh it out

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

Names and synonyms

10 names
  • 2,4-Pentadienoic acid, 5-phenyl-
  • Cinnamalacetic acid
  • β-Styrylacrylic acid
  • Cinnamylideneacetic acid
  • NSC 109408
  • NSC 1778
  • NSC 63972
  • BL 1255
  • 1-Carboxy-4-phenyl-1,3-butadiene
  • 1-Carobxy-4-phenyl-1,3-butadiene

Work with 5-Phenyl-2,4-pentadienoic 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

Cinnamic acid140-10-375 % similar Cinnamic acid621-82-975 % similar Dicinnamalacetone622-21-963 % similar 3-[1,1′-Biphenyl]-4-yl-2-propenoic acid13026-23-861 % similar 1,5-Diphenyl-2,4-pentadien-1-one614-57-359 % similar P-Phenylenediacrylic acid16323-43-659 % similar 4-Oxo-4-phenyl-2-butenoic acid583-06-255 % similar Cis,cis-muconic acid1119-72-854 % similar

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

Same formula

2-Ethyl-4H-chromen-4-one14736-30-2 Propylidenephthalide17369-59-4 1,2,6,7-Tetrahydro-8H-indeno[5,4-B]furan-8-one196597-78-1 Ethyl phenylpropiolate2216-94-6 1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane63106-93-4 4-Methoxy-1-naphthol84-85-5

Elsewhere

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