3-phenylprop-2-en-1-yl prop-2-enoate

• ChemBase ID: 108841
• Molecular Formular: C12H12O2
• Molecular Mass: 188.22248
• Monoisotopic Mass: 188.08372962
• SMILES: C=CC(=O)OC/C=C/c1ccccc1
• Canonical SMILES: C=CC(=O)OC/C=C/c1ccccc1
• InChI: InChI=1S/C12H12O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h2-9H,1,10H2
• InChIKey: QMEMFEMQJJOZGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenylprop-2-en-1-yl prop-2-enoate
• IUPAC Traditional name: 3-phenylprop-2-en-1-yl prop-2-enoate
• Synonyms: CINNAMYL ACRYLATE

Database IDs

• PubChem SID: 162106219
• PubChem CID: 5354844

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2465634
• LogD (pH = 7.4): 3.2465634
• Log P: 3.2465634
• Molar Refractivity: 56.9917 cm^3
• Polarizability: 21.743488 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05208920

MP Biomedicals Rare Chemical collection