Cas no 81916-09-8 (Palutropone)

Palutropone structure
Palutropone structure
Product Name:Palutropone
CAS No:81916-09-8
MF:C12H12O
MW:172.223083496094
CID:732520
Update Time:2024-03-01

Palutropone Chemical and Physical Properties

Names and Identifiers

    • 6H-Benzocyclohepten-6-one,1,2-dihydro-4-methyl-
    • 1,2-Dihydro-4-methyl-6H-benzocyclohepten-6-one
    • Palutropone
    • CID 101643004
    • Inchi: 1S/C12H12O/c1-9-4-2-5-10-6-3-7-11(13)8-12(9)10/h3-4,6-8H,2,5H2,1H3
    • InChI Key: BNCIJFGWLKTTGA-UHFFFAOYSA-N
    • SMILES: O=C1C=CC=C2C(=C1)C(C)=CCC2

Computed Properties

  • Exact Mass: 172.089
  • Monoisotopic Mass: 172.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 365
  • 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
  • Topological Polar Surface Area: 17.1
  • XLogP3: 2.465

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