chempirical

2-Benzylacrylic acid

C10H10O2CAS 5669-19-2162.19 g/mol

Open in Covalent MOL file
OHO
AlkeneCarboxylic acid

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
Melting point
68–69 °C
Boiling point
170–174 °C (at 20 Torr)
logP
1.87Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
5669-19-2
SMILES
C=C(Cc1ccccc1)C(=O)O
InChIKey
RYNDYESLUKWOEE-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12)

Weigh it out

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

Names and synonyms

7 names
  • Benzenepropanoic acid, α-methylene-
  • Hydrocinnamic acid, α-methylene-
  • α-Methylenebenzenepropanoic acid
  • α-Benzylacrylic acid
  • 2-Methylene-3-phenylpropanoic acid
  • NSC 192640
  • 2-Benzylprop-2-enoic acid

Work with 2-Benzylacrylic 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

Phenylacetic acid103-82-252 % similar α-Oxobenzenebutanoic acid710-11-250 % similar α-Phenylacrylic acid492-38-648 % similar Dibenzyl ketone102-04-547 % similar 2-(Bromomethyl)acrylic acid72707-66-544 % similar Phenylacetone103-79-742 % similar Phenylacetyl chloride103-80-042 % similar Benzeneacetamide103-81-142 % similar

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

Same formula

γ-Phenyl-γ-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-7 6-Methoxy-1-indanone13623-25-1

Elsewhere

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