Cas no 61208-13-7 (1,5-Hexadiyn-3-ol)
1,5-Hexadiyn-3-ol structure
Product Name:1,5-Hexadiyn-3-ol
CAS No:61208-13-7
MF:C6H6O
MW:94.1112418174744
CID:488391
PubChem ID:12431743
Update Time:2025-04-19
1,5-Hexadiyn-3-ol Chemical and Physical Properties
Names and Identifiers
-
- 1,5-Hexadiyn-3-ol
- hexa-1,5-diyn-3-ol
- DTXSID60498025
- 61208-13-7
-
- Inchi： 1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2
- InChI Key： VQCASYRXZJHWSN-UHFFFAOYSA-N
- SMILES： OC(C#C)CC#C
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: 1
- Complexity: 129
- 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: 0.3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
1,5-Hexadiyn-3-ol Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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