Cas no 62617-91-8 (ethyl 2-methyl-4-oxocyclohexane-1-carboxylate)

ethyl 2-methyl-4-oxocyclohexane-1-carboxylate structure
62617-91-8 structure
Product Name:ethyl 2-methyl-4-oxocyclohexane-1-carboxylate
CAS No:62617-91-8
MF:C10H16O3
MW:184.232243537903
CID:437916
PubChem ID:12561743
Update Time:2025-04-19

ethyl 2-methyl-4-oxocyclohexane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylic acid, 2-methyl-4-oxo-, ethyl ester
    • ethyl 2-methyl-4-oxocyclohexanecarboxylate
    • ethyl 2-methyl-4-oxocyclohexane-1-carboxylate
    • 62617-91-8
    • PB41585
    • SCHEMBL2504166
    • FT-0705497
    • EN300-119890
    • Ethyl (1R,2R)-2-Methyl-4-oxocyclohexanecarboxylate
    • MFCD28956097
    • AKOS015906273
    • PB48681
    • SY343907
    • CS-0224541
    • ethyl2-methyl-4-oxocyclohexanecarboxylate
    • PYWSLDVKSOZIOJ-UHFFFAOYSA-N
    • Inchi： 1S/C10H16O3/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h7,9H,3-6H2,1-2H3
    • InChI Key： PYWSLDVKSOZIOJ-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1CCC(CC1C)=O)=O

Computed Properties

  • Exact Mass: 184.10998
  • Monoisotopic Mass: 184.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 210
  • 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: 1.1
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

ethyl 2-methyl-4-oxocyclohexane-1-carboxylate Pricemore >>

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