Cas no 5455-17-4 (Undecanoic acid,11-(propylsulfonyl)-)
5455-17-4 structure
Product Name:Undecanoic acid,11-(propylsulfonyl)-
CAS No:5455-17-4
MF:C14H28O4S
MW:292.434723854065
CID:385063
PubChem ID:229556
Update Time:2025-04-19
Undecanoic acid,11-(propylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Undecanoic acid,11-(propylsulfonyl)-
- 11-propylsulfonylundecanoic acid
- 11-(Propan-1-sulfonyl)-undecansaeure
- 11-(propane-1-sulfonyl)-undecanoic acid
- 11-(propylsulfonyl)undecanoic acid
- 11-Propylsulfon-undecansaeure
- AC1L5HK7
- AC1Q6V1Y
- AR-1C0335
- CTK5A1616
- NSC23323
- 5455-17-4
- NSC-23323
- DTXSID60281873
-
- Inchi： 1S/C14H28O4S/c1-2-12-19(17,18)13-10-8-6-4-3-5-7-9-11-14(15)16/h2-13H2,1H3,(H,15,16)
- InChI Key： YKZLERYRSOTNDY-UHFFFAOYSA-N
- SMILES： S(CCC)(CCCCCCCCCCC(=O)O)(=O)=O
Computed Properties
- Exact Mass: 292.17094
- Monoisotopic Mass: 292.171
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 13
- Complexity: 317
- 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: 3.8
- Topological Polar Surface Area: 79.8?2
Experimental Properties
- Density: 1.062
- Boiling Point: 477.9°Cat760mmHg
- Flash Point: 242.9°C
- Refractive Index: 1.473
- PSA: 71.44
- LogP: 4.48750
Undecanoic acid,11-(propylsulfonyl)- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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