chempirical

2-Methylcinnamic acid

C10H10O2CAS 2373-76-4162.19 g/mol

Open in Covalent MOL file
OOH
AlkeneCarboxylic acid

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
Melting point
175–176 °C
logP
2.09Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
2373-76-4
SMILES
Cc1ccccc1C=CC(=O)O
InChIKey
RSWBWHPZXKLUEX-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

6 names
  • 2-Propenoic acid, 3-(2-methylphenyl)-
  • Cinnamic acid, o-methyl-
  • 3-(2-Methylphenyl)-2-propenoic acid
  • o-Methylcinnamic acid
  • NSC 99069
  • 3-(2-Methylphenyl)acrylic acid

Work with 2-Methylcinnamic 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-Formylcinnamic acid130036-17-862 % similar O-Coumaric acid583-17-562 % similar O-Coumaric acid614-60-862 % similar 3-(2-Bromophenyl)-2-propenoic acid7499-56-162 % similar 2-Chlorocinnamic acid3752-25-860 % similar 3-(2-Fluorophenyl)-2-propenoic acid451-69-460 % similar trans-2-Methoxycinnamic acid1011-54-759 % similar 2-Methoxycinnamic acid6099-03-259 % 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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