chempirical

Ethyl cinnamate

C11H12O2CAS 103-36-6176.22 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C11H12O2
Molar mass
176.22 g/mol
Exact mass
176.0837 Da
Density
1.049 g/mL (at 20 °C)
Melting point
7 °C
Boiling point
271 °C
logP
2.26Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
103-36-6
SMILES
CCOC(=O)C=Cc1ccccc1
InChIKey
KBEBGUQPQBELIU-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3

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Names and synonyms

8 names
  • 2-Propenoic acid, 3-phenyl-, ethyl ester
  • Cinnamic acid, ethyl ester
  • Ethyl 3-phenylacrylate
  • Ethyl 3-phenyl-2-propenoate
  • Ethyl benzylideneacetate
  • 3-Phenyl-2-propenoic acid ethyl ester
  • NSC 6773
  • SemaSORB 9827

Work with Ethyl cinnamate

Predict the NMR spectrum1H and 13C shifts with multiplicities 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

Same formula

Cinnamyl acetate103-54-8 6-Methoxy-1-tetralone1078-19-9 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-1 Allyl phenylacetate1797-74-6 2-Methyl-1-phenyl-3-butyne-1,2-diol2033-94-5 (+)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid23357-47-3 6-Methoxy-2-tetralone2472-22-2 Benzyl methacrylate2495-37-6

Elsewhere

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