Cas no 80720-85-0 (Benzeneacetic acid, 2-methyl-, (2-methylphenyl)methyl ester)

Benzeneacetic acid, 2-methyl-, (2-methylphenyl)methyl ester structure
80720-85-0 structure
Product Name:Benzeneacetic acid, 2-methyl-, (2-methylphenyl)methyl ester
CAS No:80720-85-0
MF:C17H18O2
MW:254.323625087738
CID:705133
PubChem ID:12824790
Update Time:2025-04-19

Benzeneacetic acid, 2-methyl-, (2-methylphenyl)methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, 2-methyl-, (2-methylphenyl)methyl ester
    • (2-methylphenyl)methyl 2-(2-methylphenyl)acetate
    • 80720-85-0
    • DTXSID40510799
    • (2-Methylphenyl)methyl (2-methylphenyl)acetate
    • Inchi: 1S/C17H18O2/c1-13-7-3-5-9-15(13)11-17(18)19-12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3
    • InChI Key: QPAWXOUPCUBTJZ-UHFFFAOYSA-N
    • SMILES: O(C(CC1C=CC=CC=1C)=O)CC1C=CC=CC=1C

Computed Properties

  • Exact Mass: 254.130679813g/mol
  • Monoisotopic Mass: 254.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 287
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 26.3?2
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