Cas no 34212-53-8 ((S)-form-7-Hydroxy-3,7-dimethyloctanal)

(S)-form-7-Hydroxy-3,7-dimethyloctanal structure
34212-53-8 structure
Product Name:(S)-form-7-Hydroxy-3,7-dimethyloctanal
CAS No:34212-53-8
MF:C10H20O2
MW:172.264603614807
CID:2011285
PubChem ID:1715134
Update Time:2025-04-21

(S)-form-7-Hydroxy-3,7-dimethyloctanal Chemical and Physical Properties

Names and Identifiers

    • (S)-form-7-Hydroxy-3,7-dimethyloctanal
    • DTXSID601335581
    • (S)-7-Hydroxy-3,7-dimethyloctanal
    • DTXCID901765365
    • (s)-7-hydroxy-3,7-dimethyl-octanal
    • SCHEMBL5604094
    • 34212-53-8
    • 829-246-4
    • Inchi: 1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3
    • InChI Key: WPFVBOQKRVRMJB-UHFFFAOYSA-N
    • SMILES: CC(CC=O)CCCC(O)(C)C

Computed Properties

  • Exact Mass: 172.146329876Da
  • Monoisotopic Mass: 172.146329876Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 130
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 37.3?2
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