(2-methoxyphenyl)methyl acetate

• ChemBase ID: 109346
• Molecular Formular: C10H12O3
• Molecular Mass: 180.20048
• Monoisotopic Mass: 180.07864424
• SMILES: COc1ccccc1COC(=O)C
• Canonical SMILES: COc1ccccc1COC(=O)C
• InChI: InChI=1S/C10H12O3/c1-8(11)13-7-9-5-3-4-6-10(9)12-2/h3-6H,7H2,1-2H3
• InChIKey: JALOQIJQRKWTHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyphenyl)methyl acetate
• IUPAC Traditional name: (2-methoxyphenyl)methyl acetate
• Synonyms: ANISYL ACETATE

Database IDs

• CAS Number: 1331-83-5
• EC Number: 215-562-4
• PubChem SID: 162095012
• PubChem CID: 562671

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4893502
• LogD (pH = 7.4): 1.4893502
• Log P: 1.4893502
• Molar Refractivity: 48.4886 cm^3
• Polarizability: 19.133545 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210722

MP Biomedicals Rare Chemical collection