chempirical

3-(1-Naphthalenyl)-2-propenoic acid

C13H10O2CAS 13026-12-5198.22 g/mol

Open in Covalent MOL file
OHO
AlkeneCarboxylic acid

Properties

Molecular formula
C13H10O2
Molar mass
198.22 g/mol
Exact mass
198.0681 Da
Melting point
152–154 °C
logP
2.94Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
13026-12-5
SMILES
O=C(O)C=Cc1cccc2ccccc12
InChIKey
WPXMLUUYWNHQOR-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,(H,14,15)

Weigh it out

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

Names and synonyms

7 names
  • 2-Propenoic acid, 3-(1-naphthalenyl)-
  • 1-Naphthaleneacrylic acid
  • β-1-Naphthylacrylic acid
  • 3-(1-Naphthyl)acrylic acid
  • 3-(Naphthalen-1-yl)acrylic acid
  • 3-(Naphthalen-1-yl)propenoic acid
  • NSC 99085

Work with 3-(1-Naphthalenyl)-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

2-Chlorocinnamic acid3752-25-863 % similar 2-Formylcinnamic acid130036-17-860 % similar O-Coumaric acid583-17-560 % similar O-Coumaric acid614-60-860 % similar 3-(2-Bromophenyl)-2-propenoic acid7499-56-160 % similar 2-Methylcinnamic acid2373-76-458 % similar 3-(2-Fluorophenyl)-2-propenoic acid451-69-458 % similar 2-(2-Carboxyethenyl)benzoic acid612-40-857 % similar

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

Same formula

4-Hydroxybenzophenone1137-42-4 2-Hydroxybenzophenone117-99-7 3-Hydroxybenzophenone13020-57-0 2-Phenoxybenzaldehyde19434-34-5 3-Phenoxybenzaldehyde39515-51-0 4-Phenoxybenzaldehyde67-36-7 [1,1′-Biphenyl]-3-carboxylic acid716-76-7 Xanthydrol90-46-0

Elsewhere

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