Cas no 69103-74-8 ()
structure
Product Name:
CAS No:69103-74-8
MF:C8H17NO3S
MW:207.290481328964
CID:6647244
PubChem ID:20316519
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C8H17NO3S/c1-2-9(13(10,11)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,10,11,12)
- InChI Key： MUCHRXAJSKBSEQ-UHFFFAOYSA-N
- SMILES： S(N(CC)C1CCCCC1)(=O)(=O)O
Computed Properties
- Exact Mass: 207.09291458g/mol
- Monoisotopic Mass: 207.09291458g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 66?2
Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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