Cas no 4230-11-9 ( )
structure
Product Name:
CAS No:4230-11-9
MF:C12H24O4S
MW:264.381563186646
CID:927964
PubChem ID:348990
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- NSC408533
- DTXSID70325075
- 11-(methylsulfonyl)undecanoic acid
- SCHEMBL9340855
- ZLYZILSADOYIRH-UHFFFAOYSA-N
- 11-methylsulfonylundecanoic acid
- 4230-11-9
- NSC-408533
-
-
- Inchi： 1S/C12H24O4S/c1-17(15,16)11-9-7-5-3-2-4-6-8-10-12(13)14/h2-11H2,1H3,(H,13,14)
- InChI Key： ZLYZILSADOYIRH-UHFFFAOYSA-N
- SMILES： S(C)(CCCCCCCCCCC(=O)O)(=O)=O
Computed Properties
- Exact Mass: 264.13962
- Monoisotopic Mass: 264.13953
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 290
- 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
- Topological Polar Surface Area: 79.8
- XLogP3: 2.9
Experimental Properties
- Density: 1.091
- Boiling Point: 457.4°C at 760 mmHg
- Flash Point: 230.4°C
- Refractive Index: 1.473
- PSA: 71.44
- LogP: 3.70730
Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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