Home Sulfos Benzenesulfonic acid, 2-methyl-, hydrate (1:1)

Benzenesulfonic acid, 2-methyl-, hydrate (1:1)

CAS No.:
1914148-59-6
Catalog Number:
AG002F82
Molecular Formula:
C7H10O4S
Molecular Weight:
190.2169
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Product Description
Catalog Number:
AG002F82
Chemical Name:
Benzenesulfonic acid, 2-methyl-, hydrate (1:1)
CAS Number:
1914148-59-6
Molecular Formula:
C7H10O4S
Molecular Weight:
190.2169
MDL Number:
MFCD00069442
IUPAC Name:
2-methylbenzenesulfonic acid;hydrate
InChI:
InChI=1S/C7H8O3S.H2O/c1-6-4-2-3-5-7(6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2
InChI Key:
VNJOEUSYAMPBAK-UHFFFAOYSA-N
SMILES:
Cc1ccccc1S(=O)(=O)O.O
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190.213g/mol
Monoisotopic Mass:
190.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties