chempirical

Methyl cinnamate

C10H10O2CAS 103-26-4162.19 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
Density
1.0672 g/mL (at 15 °C)
Melting point
36 °C
Boiling point
260.4 °C
logP
1.87Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
103-26-4
SMILES
COC(=O)C=Cc1ccccc1
InChIKey
CCRCUPLGCSFEDV-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3

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Names and synonyms

10 names
  • 2-Propenoic acid, 3-phenyl-, methyl ester
  • Cinnamic acid, methyl ester
  • Methyl cinnamylate
  • Methyl 3-phenylpropenoate
  • Methyl 3-phenyl-2-propenoate
  • Methyl 3-phenylacrylate
  • 3-Phenyl-2-propenoic acid methyl ester
  • 3-Phenylacrylic acid methyl ester
  • NSC 9411
  • SemaSORB 9815

Work with Methyl cinnamate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 3-(4-formylphenyl)-2-propenoate7560-50-169 % similar Methyl P-coumarate3943-97-367 % similar Methyl 3-(4-chlorophenyl)-2-propenoate7560-44-367 % similar Methyl 4-methoxycinnamate832-01-967 % similar Ethyl cinnamate103-36-662 % similar Isopropyl cinnamate7780-06-562 % similar Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate946-99-661 % similar Propyl cinnamate7778-83-858 % 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 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 6-Methoxy-1-indanone13623-25-1 2-Methoxycinnamaldehyde1504-74-1 4-Methylcinnamic acid1866-39-3

Elsewhere

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