Cas no 62739-59-7 (2-Propenoic acid, 3-(dodecylsulfinyl)-)
62739-59-7 structure
Product Name:2-Propenoic acid, 3-(dodecylsulfinyl)-
CAS No:62739-59-7
MF:C15H28O3S
MW:288.44602394104
CID:1641673
PubChem ID:71383289
Update Time:2025-04-21
2-Propenoic acid, 3-(dodecylsulfinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(dodecylsulfinyl)-
- 3-dodecylsulfinylprop-2-enoic acid
- 62739-59-7
- DTXSID30805621
- 3-(DODECANE-1-SULFINYL)PROP-2-ENOIC ACID
-
- Inchi： 1S/C15H28O3S/c1-2-3-4-5-6-7-8-9-10-11-13-19(18)14-12-15(16)17/h12,14H,2-11,13H2,1H3,(H,16,17)
- InChI Key： YWIAALFLEQDIFN-UHFFFAOYSA-N
- SMILES： S(C=CC(=O)O)(CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 288.17604
- Monoisotopic Mass: 288.17591592g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 13
- Complexity: 275
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 4.7
- Topological Polar Surface Area: 73.6?2
Experimental Properties
- PSA: 54.37
2-Propenoic acid, 3-(dodecylsulfinyl)- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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