Cas no 62266-63-1 (methyl 6-methylcyclohex-3-ene-1-carboxylate)

methyl 6-methylcyclohex-3-ene-1-carboxylate structure
62266-63-1 structure
Product Name:methyl 6-methylcyclohex-3-ene-1-carboxylate
CAS No:62266-63-1
MF:C9H14O2
MW:154.206263065338
CID:956405
PubChem ID:3017327
Update Time:2025-04-19

methyl 6-methylcyclohex-3-ene-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 6-methylcyclohex-3-ene-1-carboxylate
    • 3-Cyclohexene-1-carboxylic acid, 6-methyl-, methyl ester
    • AI3-21479
    • DTXSID70977831
    • DB-308382
    • SVMRMDDGGIZFQN-UHFFFAOYSA-N
    • 62266-63-1
    • NS00055892
    • SCHEMBL2918081
    • EINECS 263-480-2
    • Inchi: 1S/C9H14O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-4,7-8H,5-6H2,1-2H3
    • InChI Key: SVMRMDDGGIZFQN-UHFFFAOYSA-N
    • SMILES: O(C)C(C1CC=CCC1C)=O

Computed Properties

  • Exact Mass: 154.09942
  • Monoisotopic Mass: 154.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 172
  • 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: 2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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