chempirical

α-Methylcinnamic acid

C10H10O2CAS 1199-77-5162.19 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
79–81 °C
Boiling point
225–230 °C (at 0.2 Torr)
logP
2.17Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
1199-77-5
SMILES
CC(=Cc1ccccc1)C(=O)O
InChIKey
XNCRUNXWPDJHGV-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)

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

Names and synonyms

6 names
  • 2-Propenoic acid, 2-methyl-3-phenyl-
  • Cinnamic acid, α-methyl-
  • 2-Methyl-3-phenyl-2-propenoic acid
  • NSC 401113
  • 3-Phenyl-2-methyl-2-propenoic acid
  • 2-Methyl-3-phenylacrylicacid

Work with α-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

3-Methyl-4-phenyl-3-buten-2-one1901-26-461 % similar 2-Fluoro-3-phenyl-2-propenoic acid350-90-358 % similar Alpha-phenylcinnamic acid91-48-558 % similar 2-(Acetylamino)-3-phenyl-2-propenoic acid5469-45-457 % similar α-Cyanocinnamic acid1011-92-354 % similar 3-(Phenylmethylene)-2,4-pentanedione4335-90-448 % similar (2-Methyl-1-propen-1-yl)benzene768-49-047 % similar Angelic acid565-63-945 % 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 Isosafrole120-58-1 6-Methoxy-1-indanone13623-25-1 2-Methoxycinnamaldehyde1504-74-1 4-Methylcinnamic acid1866-39-3

Elsewhere

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