Home Sulfos Benzenesulfonic acid, 3,4-dimethyl-, sodium salt

Benzenesulfonic acid, 3,4-dimethyl-, sodium salt

CAS No.:
827-93-0
Catalog Number:
AG01BRPJ
Molecular Formula:
C8H9NaO3S
Molecular Weight:
208.2100
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Product Description
Catalog Number:
AG01BRPJ
Chemical Name:
Benzenesulfonic acid, 3,4-dimethyl-, sodium salt
CAS Number:
827-93-0
Molecular Formula:
C8H9NaO3S
Molecular Weight:
208.2100
MDL Number:
MFCD00007513
IUPAC Name:
sodium;3,4-dimethylbenzenesulfonate
InChI:
InChI=1S/C8H10O3S.Na/c1-6-3-4-8(5-7(6)2)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);/q;+1/p-1
InChI Key:
QUCDWLYKDRVKMI-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1C)S(=O)(=O)[O-].[Na+]
UNII:
2OYF82G7KK
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.017g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.207g/mol
Monoisotopic Mass:
208.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties