chempirical

Allyl cinnamate

C12H12O2CAS 1866-31-5188.23 g/mol

Open in Covalent MOL file
OO
AlkeneEster

Properties

Molecular formula
C12H12O2
Molar mass
188.23 g/mol
Exact mass
188.0837 Da
Density
1.048 g/mL (at 20 °C)
Boiling point
163 °C (at 17 Torr)
logP
2.43Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1866-31-5
SMILES
C=CCOC(=O)C=Cc1ccccc1
InChIKey
KCMITHMNVLRGJU-UHFFFAOYSA-N
InChI
InChI=1S/C12H12O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2-9H,1,10H2

Weigh it out

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

Names and synonyms

4 names
  • 2-Propenoic acid, 3-phenyl-, 2-propen-1-yl ester
  • Cinnamic acid, allyl ester
  • 2-Propenoic acid, 3-phenyl-, 2-propenyl ester
  • NSC 20972

Work with Allyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cinnamyl cinnamate122-69-071 % similar Ethyl cinnamate103-36-662 % similar Benzyl cinnamate103-41-362 % similar Phenethyl cinnamate103-53-761 % similar Vinyl trans-cinnamate3098-92-859 % similar Diallyl maleate999-21-359 % similar Propyl cinnamate7778-83-859 % similar Isobutyl cinnamate122-67-857 % similar

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

Same formula

1,4-Dimethoxynaphthalene10075-62-4 2-Acetyl-1-tetralone17216-08-9 2,3-Bis(hydroxymethyl)naphthalene31554-15-1 2,7-Dimethoxynaphthalene3469-26-9 1,6-Dimethoxynaphthalene3900-49-0 3-(Phenylmethylene)-2,4-pentanedione4335-90-4 5-Phenylcyclohexane-1,3-dione493-72-1 2,6-Dimethoxynaphthalene5486-55-5

Elsewhere

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