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10021-55-3 | Benzenesulfonic acid, 2,5-dihydroxy-, sodium salt (1:1)
CAS No: 10021-55-3 Catalog No: AG00019W MDL No:MFCD00065077
Product Description
Catalog Number:
AG00019W
Chemical Name:
Benzenesulfonic acid, 2,5-dihydroxy-, sodium salt (1:1)
CAS Number:
10021-55-3
Molecular Formula:
C6H5NaO5S
Molecular Weight:
212.1557
MDL Number:
MFCD00065077
IUPAC Name:
sodium;2,5-dihydroxybenzenesulfonate
InChI:
InChI=1S/C6H6O5S.Na/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3,7-8H,(H,9,10,11);/q;+1/p-1
InChI Key:
KICVIQZBYBXLQD-UHFFFAOYSA-M
SMILES:
Oc1ccc(c(c1)S(=O)(=O)[O-])O.[Na+]
EC Number:
233-016-3
UNII:
39QU1N75HD
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.151g/mol
Monoisotopic Mass:
211.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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