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825-90-1 | Sodium 4-hydroxybenzenesulfonate
CAS No: 825-90-1 Catalog No: AG003UBB MDL No:MFCD00044734
Product Description
Catalog Number:
AG003UBB
Chemical Name:
Sodium 4-hydroxybenzenesulfonate
CAS Number:
825-90-1
Molecular Formula:
C6H5NaO4S
Molecular Weight:
196.1563
MDL Number:
MFCD00044734
IUPAC Name:
sodium;4-hydroxybenzenesulfonate
InChI:
InChI=1S/C6H6O4S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1
InChI Key:
BYMHXIQVEAYSJD-UHFFFAOYSA-M
SMILES:
Oc1ccc(cc1)S(=O)(=O)[O-].[Na+]
EC Number:
212-550-0
UNII:
95H8X8YVQR
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.152g/mol
Monoisotopic Mass:
195.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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