Specification
Synonyms
Phenylpropenyl n-butyrate
IUPAC Name
[(E)-3-Phenylprop-2-enyl] butanoate
Canonical SMILES
CCCC(=O)OCC=CC1=CC=CC=C1
InChI
InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3/b10-6+
InChI Key
YZYPQKZWNXANRB-UXBLZVDNSA-N
Density
1.013 g/mL at 25 °C(lit.)
Isomeric SMILES
CCCC(=O)OC/C=C/C1=CC=CC=C1
Monoisotopic Mass
204.115029749
Refractive Index
n20/D 1.526(lit.)
Topological Polar Surface Area
26.3 Ų