Cas no 19780-83-7 (4-Hexyn-2-ol)
4-Hexyn-2-ol structure
Product Name:4-Hexyn-2-ol
CAS No:19780-83-7
MF:C6H10O
MW:98.1430020332336
CID:123753
PubChem ID:12908367
Update Time:2025-04-18
4-Hexyn-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 4-Hexyn-2-ol
- hex-4-yn-2-ol
- 2-Hexyn-5-ol
- 4-hexin-2-ol
- 19780-83-7
- IKROQHVDACEGBA-UHFFFAOYSA-N
- DTXSID70512685
- AKOS011594555
-
- Inchi： 1S/C6H10O/c1-3-4-5-6(2)7/h6-7H,5H2,1-2H3
- InChI Key： IKROQHVDACEGBA-UHFFFAOYSA-N
- SMILES： OC(C)CC#CC
Computed Properties
- Exact Mass: 98.07320
- Monoisotopic Mass: 98.073164938g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 93.2
- 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: 1.1
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.8339 (estimate)
- Melting Point: -34°C (estimate)
- Boiling Point: 153.68°C (rough estimate)
- Refractive Index: 1.4325 (estimate)
- PSA: 20.23000
- LogP: 0.78060
4-Hexyn-2-ol Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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