Cas no 83598-09-8 (2-Propanone, 1,3-bis(3-methylphenyl)-)

2-Propanone, 1,3-bis(3-methylphenyl)- structure
83598-09-8 structure
Product Name:2-Propanone, 1,3-bis(3-methylphenyl)-
CAS No:83598-09-8
MF:C17H18O
MW:238.324224948883
CID:668810
PubChem ID:4564839
Update Time:2025-04-19

2-Propanone, 1,3-bis(3-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propanone, 1,3-bis(3-methylphenyl)-
    • 1,3-bis(3-methylphenyl)propan-2-one
    • 83598-09-8
    • DTXSID10404313
    • 1,3-di(m-methylphenyl)acetone
    • AKOS010993975
    • SCHEMBL7073775
    • Inchi: 1S/C17H18O/c1-13-5-3-7-15(9-13)11-17(18)12-16-8-4-6-14(2)10-16/h3-10H,11-12H2,1-2H3
    • InChI Key: WGDOQXLDQCLKHA-UHFFFAOYSA-N
    • SMILES: O=C(CC1C=CC=C(C)C=1)CC1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 238.135765193g/mol
  • Monoisotopic Mass: 238.135765193g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 245
  • 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: 17.1?2
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