Home Other Building Blocks 2-Sulfobenzoic acid trihydrate

2-Sulfobenzoic acid trihydrate

CAS No.:
123333-68-6
Catalog Number:
AG000KDW
Molecular Formula:
C7H8O6S
Molecular Weight:
220.1998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
98%
In Stock USA
United States
$110
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Product Description
Catalog Number:
AG000KDW
Chemical Name:
2-Sulfobenzoic acid trihydrate
CAS Number:
123333-68-6
Molecular Formula:
C7H8O6S
Molecular Weight:
220.1998
MDL Number:
MFCD00007479
IUPAC Name:
2-sulfobenzoic acid;hydrate
InChI:
InChI=1S/C7H6O5S.H2O/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H2
InChI Key:
HVJWSZOEEIYKSS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1S(=O)(=O)O.O
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.004g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
220.195g/mol
Monoisotopic Mass:
220.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties