Cas no 44815-64-7 (1,2,4-Hexanetriol)
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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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