Cas no 93972-93-1 (2,3,4-Hexanetriol)
2,3,4-Hexanetriol structure
Product Name:2,3,4-Hexanetriol
CAS No:93972-93-1
MF:C6H14O3
MW:134.173562526703
CID:735458
PubChem ID:9942157
Update Time:2025-04-19
2,3,4-Hexanetriol Chemical and Physical Properties
Names and Identifiers
-
- 2,3,4-Hexanetriol
- hexane-2,3,4-triol
- 93972-93-1
- SCHEMBL284473
- DTXSID20433078
-
- Inchi： 1S/C6H14O3/c1-3-5(8)6(9)4(2)7/h4-9H,3H2,1-2H3
- InChI Key： QPNQLFAXFXPMSV-UHFFFAOYSA-N
- SMILES： OC(C(C)O)C(CC)O
Computed Properties
- Exact Mass: 134.094294304g/mol
- 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: 3
- Complexity: 74.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 60.7?2
2,3,4-Hexanetriol Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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