ethyl (2Z)-3-phenylprop-2-enoate

• ChemBase ID: 168479
• Molecular Formular: C11H12O2
• Molecular Mass: 176.21178
• Monoisotopic Mass: 176.08372962
• SMILES: c1cccc(c1)/C=C\C(=O)OCC
• Canonical SMILES: CCOC(=O)/C=C\c1ccccc1
• InChI: InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8-
• InChIKey: KBEBGUQPQBELIU-HJWRWDBZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2Z)-3-phenylprop-2-enoate
• IUPAC Traditional name: ethyl (2Z)-3-phenylprop-2-enoate
• Synonyms: (2Z)-3-Phenyl-2-propenoic Acid Ethyl Ester; (Z)-Cinnamic Acid Ethyl Ester; (2Z)-3-Phenylprop-2-enoic Acid Ethyl Ester; (Z)-Ethyl Cinnamate; cis-Ethyl Cinnamate (contains up to 10% Ethyl dihydrocinnamate)

Database IDs

• CAS Number: 4610-69-9
• PubChem SID: 162262611
• PubChem CID: 5284656

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8721216
• LogD (pH = 7.4): 2.8721216
• Log P: 2.8721216
• Molar Refractivity: 52.5776 cm^3
• Polarizability: 20.134577 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ether; Ethyl Acetate
• Apperance: Colourless Oil

Safety Information

• Storage Condition: Refrigerator