Cas no 18990-98-2 (1,3,6-Hexanetriol)

1,3,6-Hexanetriol structure
1,3,6-Hexanetriol structure
Product Name:1,3,6-Hexanetriol
CAS No:18990-98-2
MF:C6H14O3
MW:134.173562526703
CID:123286
PubChem ID:10214392
Update Time:2025-04-18

1,3,6-Hexanetriol Chemical and Physical Properties

Names and Identifiers

    • 1,3,6-Hexanetriol
    • 1,3,6-Trihydroxyhexane
    • hexane-1,3,6-triol
    • UNII-1RUV2595XZ
    • Q27252810
    • 1RUV2595XZ
    • 1,3,6-Hexanetriol, (+/-)-
    • DTXSID20274069
    • AAYGSSGHJGVNSK-UHFFFAOYSA-N
    • 18990-98-2
    • SCHEMBL35907
    • DTXCID80196536
    • Inchi： 1S/C6H14O3/c7-4-1-2-6(9)3-5-8/h6-9H,1-5H2
    • InChI Key： AAYGSSGHJGVNSK-UHFFFAOYSA-N
    • SMILES： OC(CCO)CCCO

Computed Properties

  • Exact Mass: 134.09432
  • Monoisotopic Mass: 134.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 56.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.7
  • Topological Polar Surface Area: 60.7?2

Experimental Properties

  • PSA: 60.69

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