Cas no 62679-53-2 (1,4-Hexadiyn-3-ol)
1,4-Hexadiyn-3-ol structure
Product Name:1,4-Hexadiyn-3-ol
CAS No:62679-53-2
MF:C6H6O
MW:94.1112418174744
CID:435490
PubChem ID:23465004
Update Time:2025-04-19
1,4-Hexadiyn-3-ol Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Hexadiyn-3-ol
- hexa-1,4-diyn-3-ol
- 62679-53-2
- DTXSID00634405
-
- Inchi： 1S/C6H6O/c1-3-5-6(7)4-2/h2,6-7H,1H3
- InChI Key： VJRNBQYAZIWTQU-UHFFFAOYSA-N
- SMILES： OC(C#C)C#CC
Computed Properties
- Exact Mass: 94.04188
- Monoisotopic Mass: 94.041864811g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 147
- 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: 0.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
1,4-Hexadiyn-3-ol Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
62679-53-2 (1,4-Hexadiyn-3-ol) Related Products
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