Cas no 44815-64-7 (1,2,4-Hexanetriol)

1,2,4-Hexanetriol structure
1,2,4-Hexanetriol structure
Product Name:1,2,4-Hexanetriol
CAS No:44815-64-7
MF:C6H14O3
MW:134.173562526703
CID:2827931
PubChem ID:9964104
Update Time:2025-04-21

1,2,4-Hexanetriol Chemical and Physical Properties

Names and Identifiers

    • UNII-U93B1021CX
    • 1,2,4-Hexanetriol
    • U93B1021CX
    • SCHEMBL50575
    • 44815-64-7
    • DTXSID20433356
    • Inchi: 1S/C6H14O3/c1-2-5(8)3-6(9)4-7/h5-9H,2-4H2,1H3
    • InChI Key: DZZRNEZNZCRBOT-UHFFFAOYSA-N
    • SMILES: OC(CC)CC(CO)O

Computed Properties

  • Exact Mass: 134.094294304Da
  • Monoisotopic Mass: 134.094294304Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 65.3
  • 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: -0.4
  • Topological Polar Surface Area: 60.7?2

1,2,4-Hexanetriol Related Literature

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