Home Sulfos 4-methanesulfonyl-1,2-dimethylbenzene

4-methanesulfonyl-1,2-dimethylbenzene

CAS No.:
38452-49-2
Catalog Number:
AG01BGO2
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
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Product Description
Catalog Number:
AG01BGO2
Chemical Name:
4-methanesulfonyl-1,2-dimethylbenzene
CAS Number:
38452-49-2
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
MDL Number:
MFCD03789178
IUPAC Name:
1,2-dimethyl-4-methylsulfonylbenzene
InChI:
InChI=1S/C9H12O2S/c1-7-4-5-9(6-8(7)2)12(3,10)11/h4-6H,1-3H3
InChI Key:
OKDUYWXZUOTFAI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)S(=O)(=O)C
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.056g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.253g/mol
Monoisotopic Mass:
184.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties