Cas no 90515-24-5 (Methanesulfonic acid;oct-3-yn-1-ol)
90515-24-5 structure
Product Name:Methanesulfonic acid;oct-3-yn-1-ol
CAS No:90515-24-5
MF:C9H18O4S
MW:222.301822185516
CID:2812370
PubChem ID:71327437
Update Time:2025-04-21
Methanesulfonic acid;oct-3-yn-1-ol Chemical and Physical Properties
Names and Identifiers
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- 90515-24-5
- Methanesulfonic acid--oct-3-yn-1-ol (1/1)
- DTXSID70756507
- Methanesulfonic acid;oct-3-yn-1-ol
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- Inchi： 1S/C8H14O.CH4O3S/c1-2-3-4-5-6-7-8-9;1-5(2,3)4/h9H,2-4,7-8H2,1H3;1H3,(H,2,3,4)
- InChI Key： OKURKWVVOFALFD-UHFFFAOYSA-N
- SMILES： S(C)(=O)(=O)O.OCCC#CCCCC
Computed Properties
- Exact Mass: 222.09258022Da
- Monoisotopic Mass: 222.09258022Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 197
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 83?2
Methanesulfonic acid;oct-3-yn-1-ol Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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