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Home Sulfos Benzoic acid, 2-hydroxy-5-sulfo-, hydrate (1:1)

Benzoic acid, 2-hydroxy-5-sulfo-, hydrate (1:1)

CAS No.:
304851-84-1
Catalog Number:
AG0030A9
Molecular Formula:
C7H8O7S
Molecular Weight:
236.1992
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Product Description
Catalog Number:
AG0030A9
Chemical Name:
Benzoic acid, 2-hydroxy-5-sulfo-, hydrate (1:1)
CAS Number:
304851-84-1
Molecular Formula:
C7H8O7S
Molecular Weight:
236.1992
MDL Number:
MFCD00007508
IUPAC Name:
2-hydroxy-5-sulfobenzoic acid;hydrate
InChI:
InChI=1S/C7H6O6S.H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;/h1-3,8H,(H,9,10)(H,11,12,13);1H2
InChI Key:
PAUDQWJTTVPGHZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1O)S(=O)(=O)O.O
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.999g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
236.194g/mol
Monoisotopic Mass:
235.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties