Home Sulfos 3-Methylbenzenesulfonic acid hydrate

3-Methylbenzenesulfonic acid hydrate

CAS No.:
312619-56-0
Catalog Number:
AG003S6D
Molecular Formula:
C7H10O4S
Molecular Weight:
190.2169
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003S6D
Chemical Name:
3-Methylbenzenesulfonic acid hydrate
CAS Number:
312619-56-0
Molecular Formula:
C7H10O4S
Molecular Weight:
190.2169
MDL Number:
MFCD00051576
IUPAC Name:
3-methylbenzenesulfonic acid;hydrate
InChI:
InChI=1S/C7H8O3S.H2O/c1-6-3-2-4-7(5-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2
InChI Key:
GHLYGGIKYFLYTH-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)S(=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