methyl 2-phenylprop-2-enoate

• ChemBase ID: 294325
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: COC(=O)C(=C)c1ccccc1
• Canonical SMILES: COC(=O)C(=C)c1ccccc1
• InChI: InChI=1S/C10H10O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
• InChIKey: GQTXKEVAUZYHGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-phenylprop-2-enoate
• IUPAC Traditional name: methyl 2-phenylprop-2-enoate
• Synonyms: Methyl 2-phenylacrylate

Database IDs

• CAS Number: 1865-29-8
• MDL Number: MFCD00030273
• PubChem SID: 180679856
• PubChem CID: 193334

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5802624
• LogD (pH = 7.4): 2.5802624
• Log P: 2.5802624
• Molar Refractivity: 46.5126 cm^3
• Polarizability: 18.283243 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%