Cas no 73647-37-7 (3-Butyn-2-ol, methanesulfonate, (2S)-)
73647-37-7 structure
Product Name:3-Butyn-2-ol, methanesulfonate, (2S)-
CAS No:73647-37-7
MF:C5H10O4S
MW:166.195500850677
CID:542166
PubChem ID:71404167
Update Time:2025-04-19
3-Butyn-2-ol, methanesulfonate, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Butyn-2-ol, methanesulfonate, (2S)-
- Methanesulfonic acid--(2S)-but-3-yn-2-ol (1/1)
- 73647-37-7
- DTXSID30825026
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- Inchi： 1S/C4H6O.CH4O3S/c1-3-4(2)5;1-5(2,3)4/h1,4-5H,2H3;1H3,(H,2,3,4)/t4-;/m0./s1
- InChI Key： JJWWLCYTKAXPMA-WCCKRBBISA-N
- SMILES： S(C)(=O)(=O)O.O[C@H](C#C)C
Computed Properties
- Exact Mass: 166.02997997g/mol
- Monoisotopic Mass: 166.02997997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 150
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 83?2
3-Butyn-2-ol, methanesulfonate, (2S)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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