Home Sulfos 2,5-Dimethylphenylmethylsulfone

2,5-Dimethylphenylmethylsulfone

CAS No.:
6462-29-9
Catalog Number:
AG01EWS4
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
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Product Description
Catalog Number:
AG01EWS4
Chemical Name:
2,5-Dimethylphenylmethylsulfone
CAS Number:
6462-29-9
Molecular Formula:
C9H12O2S
Molecular Weight:
184.2554
MDL Number:
MFCD03789176
IUPAC Name:
1,4-dimethyl-2-methylsulfonylbenzene
InChI:
InChI=1S/C9H12O2S/c1-7-4-5-8(2)9(6-7)12(3,10)11/h4-6H,1-3H3
InChI Key:
WDIWSBKKOOKBJR-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)S(=O)(=O)C)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:
1.9  
Properties