Cas no 4466-25-5 ( )
structure
Product Name:
CAS No:4466-25-5
MF:C15H30O4S
MW:306.461304187775
CID:929607
PubChem ID:229558
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 11-butylsulfonylundecanoic acid
- 11-(butylsulfonyl)undecanoic acid
- 11-Butylsulfon-undecansaeure
- 11-Butylsulfo-undecansaeure
- AC1L5HKD
- AC1Q6V1Z
- AG-J-68989
- AR-1C0315
- CTK4I8381
- NSC23325
- DTXSID80281875
- NSC-23325
- 4466-25-5
-
-
- Inchi： 1S/C15H30O4S/c1-2-3-13-20(18,19)14-11-9-7-5-4-6-8-10-12-15(16)17/h2-14H2,1H3,(H,16,17)
- InChI Key： FGKIKHQZLAKXAG-UHFFFAOYSA-N
- SMILES： S(CCCC)(CCCCCCCCCCC(=O)O)(=O)=O
Computed Properties
- Exact Mass: 306.1866
- Monoisotopic Mass: 306.18648061g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 330
- 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: 4.1
- Topological Polar Surface Area: 79.8?2
Experimental Properties
- PSA: 71.44
Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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