Cas no 3913-99-3 ( )

  structure
  structure
Product Name: 
CAS No:3913-99-3
MF:C9H14O3
MW:170.205663204193
CID:924294
PubChem ID:264218
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • methyl 4-methyl-3-oxocyclohexane-1-carboxylate
    • 4-Methyl-3-oxo-cyclohexancarbonsaeure-methylester
    • 4-methyl-3-oxo-cyclohexanecarboxylic acid methyl ester
    • AC1L6BEH
    • AC1Q6EBW
    • AG-K-93482
    • AR-1J5452
    • CTK4I0983
    • methyl 4-methyl-3-oxocyclohexanecarboxylate
    • NCIOpen2_001923
    • NSC99212
    • EN300-7913294
    • 3913-99-3
    • NSC-99212
    • DTXSID90294996
    • NSC 99212
    •  
    • Inchi: 1S/C9H14O3/c1-6-3-4-7(5-8(6)10)9(11)12-2/h6-7H,3-5H2,1-2H3
    • InChI Key: HOXHPJRXOROTQC-UHFFFAOYSA-N
    • SMILES: O=C1CC(C(=O)OC)CCC1C

Computed Properties

  • Exact Mass: 170.09432
  • Monoisotopic Mass: 170.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 198
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

  Pricemore >>

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