Cas no 916062-22-1 (2-Nonanone, 4-methoxy-)

2-Nonanone, 4-methoxy- structure
2-Nonanone, 4-methoxy- structure
Product Name:2-Nonanone, 4-methoxy-
CAS No:916062-22-1
MF:C10H20O2
MW:172.264603614807
CID:786915
PubChem ID:20651966
Update Time:2025-04-19

2-Nonanone, 4-methoxy- Chemical and Physical Properties

Names and Identifiers

    • 2-Nonanone, 4-methoxy-
    • 4-methoxynonan-2-one
    • DTXSID50609269
    • SCHEMBL14066244
    • 916062-22-1
    • Inchi: 1S/C10H20O2/c1-4-5-6-7-10(12-3)8-9(2)11/h10H,4-8H2,1-3H3
    • InChI Key: BPHRKWVCSPQMIE-UHFFFAOYSA-N
    • SMILES: O(C)C(CC(C)=O)CCCCC

Computed Properties

  • Exact Mass: 172.146329876g/mol
  • Monoisotopic Mass: 172.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 121
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 26.3?2
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