(2H5)phenyl acetate

• ChemBase ID: 176505
• Molecular Formular: C8H8O2
• Molecular Mass: 136.14792
• Monoisotopic Mass: 136.0524295
• SMILES: c1ccccc1OC(=O)C
• Canonical SMILES: CC(=O)Oc1ccccc1
• InChI: InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
• InChIKey: IPBVNPXQWQGGJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)phenyl acetate
• IUPAC Traditional name: (^2H₅)phenyl acetate
• Synonyms: Phenyl Acetic Acid Ester; Acetoxybenzene; NSC 27795; Phenol Acetate; Phenyl Acetate

Database IDs

• CAS Number: 22705-26-6
• PubChem SID: 164232415
• PubChem CID: 12235684

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5805068
• LogD (pH = 7.4): 1.5805068
• Log P: 1.5805068
• Molar Refractivity: 37.1904 cm^3
• Polarizability: 14.777016 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Colorless Oil