Specification
Synonyms
3-Phenyl-2-propenyl propionate
IUPAC Name
[(E)-3-Phenylprop-2-enyl] propanoate
Canonical SMILES
CCC(=O)OCC=CC1=CC=CC=C1
InChI
InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+
InChI Key
KGDJMNKPBUNHGY-RMKNXTFCSA-N
Density
1.032 g/mL at 25 °C(lit.)
Solubility
water, 68.97 mg/L @ 25 °C (est)
Appearance
Colorless to pale yellow clear liquid (est)
Isomeric SMILES
CCC(=O)OC/C=C/C1=CC=CC=C1
Monoisotopic Mass
190.099379685
Refractive Index
n20/D 1.535(lit.)
Topological Polar Surface Area
26.3 Ų