Cas no 31233-80-4 (heptadecane-1-sulfonic acid)
heptadecane-1-sulfonic acid structure
Product Name:heptadecane-1-sulfonic acid
CAS No:31233-80-4
MF:C17H36O3S
MW:320.530944824219
CID:1452277
PubChem ID:169273
Update Time:2025-04-20
heptadecane-1-sulfonic acid Chemical and Physical Properties
Names and Identifiers
-
- heptadecane-1-sulfonic acid
- heptadecanesulfonic acid
- DTXSID4073467
- 1-Heptadecanesulfonic acid
- 31233-80-4
- A21202
- SCHEMBL496699
-
- Inchi： 1S/C17H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(18,19)20/h2-17H2,1H3,(H,18,19,20)
- InChI Key： RBKVKJQKWUIINA-UHFFFAOYSA-N
- SMILES： S(CCCCCCCCCCCCCCCCC)(=O)(=O)O
Computed Properties
- Exact Mass: 320.23868
- Monoisotopic Mass: 320.23851618g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 16
- Complexity: 294
- 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: 7.4
- Topological Polar Surface Area: 62.8?2
Experimental Properties
- PSA: 54.37
heptadecane-1-sulfonic acid Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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