Home Sulfos 3,4-Dimethylbenzenesulfonic acid

3,4-Dimethylbenzenesulfonic acid

CAS No.:
618-01-9
Catalog Number:
AG00EB4K
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
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Product Description
Catalog Number:
AG00EB4K
Chemical Name:
3,4-Dimethylbenzenesulfonic acid
CAS Number:
618-01-9
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
MDL Number:
MFCD00068353
IUPAC Name:
3,4-dimethylbenzenesulfonic acid
InChI:
InChI=1S/C8H10O3S/c1-6-3-4-8(5-7(6)2)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)
InChI Key:
WYCOJIVDCGJKDB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)S(=O)(=O)O
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.225g/mol
Monoisotopic Mass:
186.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties