Cas no 99769-56-9 ([(4-methylenecyclohexyl)methyl] hydrogen succinate)

[(4-methylenecyclohexyl)methyl] hydrogen succinate structure
99769-56-9 structure
Product Name:[(4-methylenecyclohexyl)methyl] hydrogen succinate
CAS No:99769-56-9
MF:C12H18O4
MW:226.268924236298
CID:1003017
PubChem ID:113527
Update Time:2025-04-20

[(4-methylenecyclohexyl)methyl] hydrogen succinate Chemical and Physical Properties

Names and Identifiers

    • [(4-methylenecyclohexyl)methyl] hydrogen succinate
    • [(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl] acetate
    • 99769-56-9
    • ((4-Methylenecyclohexyl)methyl) hydrogen succinate
    • NS00065678
    • 4-[(4-methylidenecyclohexyl)methoxy]-4-oxobutanoic acid
    • [(4-Methylenecyclohexyl)methyl]hydrogen succinate
    • EINECS 309-033-8
    • DTXSID10912483
    • AGRYPKJDKAJCRL-UHFFFAOYSA-N
    • Inchi: 1S/C12H18O4/c1-9-2-4-10(5-3-9)8-16-12(15)7-6-11(13)14/h10H,1-8H2,(H,13,14)
    • InChI Key: AGRYPKJDKAJCRL-UHFFFAOYSA-N
    • SMILES: O(C(CCC(=O)O)=O)CC1CCC(=C)CC1

Computed Properties

  • Exact Mass: 226.12050905g/mol
  • Monoisotopic Mass: 226.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 273
  • 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
  • XLogP3: 1.3
  • Topological Polar Surface Area: 63.6?2
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