200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 123333-68-6
123333-68-6 | Benzoic acid, 2-sulfo-, hydrate (1:?)
CAS No: 123333-68-6 Catalog No: AG000KDW MDL No:MFCD00149534
Product Description
Catalog Number:
AG000KDW
Chemical Name:
Benzoic acid, 2-sulfo-, hydrate (1:?)
CAS Number:
123333-68-6
Molecular Formula:
C7H8O6S
Molecular Weight:
220.1998
MDL Number:
MFCD00149534
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.