Cas no 67923-58-4 (1,7,7-trimethylbicyclo[2.2.1]hept-2-yl lactate)

1,7,7-trimethylbicyclo[2.2.1]hept-2-yl lactate structure
67923-58-4 structure
Product Name:1,7,7-trimethylbicyclo[2.2.1]hept-2-yl lactate
CAS No:67923-58-4
MF:C13H22O3
MW:226.311984539032
CID:967820
PubChem ID:106971
Update Time:2025-04-19

1,7,7-trimethylbicyclo[2.2.1]hept-2-yl lactate Chemical and Physical Properties

Names and Identifiers

    • 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl lactate
    • (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-hydroxypropanoate
    • NS00056354
    • Propanoic acid, 2-hydroxy-, 1,7,7-trimethylbicyclo(2.2.1)heptan-2-yl ester
    • DTXSID70867405
    • Borneol lactate
    • 2-hydroxypropanoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester
    • EINECS 267-774-1
    • 1,7,7-Trimethylbicyclo(2,2,1)heptan-2-ol, 2-hydroxypropanoate
    • Propanoic acid, 2-hydroxy-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester
    • 67923-58-4
    • Propanoic acid, 2-hydroxy-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester
    • 1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl lactate
    • PKKVIPFBICXMFP-UHFFFAOYSA-N
    • Inchi: 1S/C13H22O3/c1-8(14)11(15)16-10-7-9-5-6-13(10,4)12(9,2)3/h8-10,14H,5-7H2,1-4H3
    • InChI Key: PKKVIPFBICXMFP-UHFFFAOYSA-N
    • SMILES: O(C(C(C)O)=O)C1CC2CCC1(C)C2(C)C

Computed Properties

  • Exact Mass: 226.15689456g/mol
  • Monoisotopic Mass: 226.15689456g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 310
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 46.5?2
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