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16593-81-0 | 1,3-Benzenediol, 4-[2-(2-pyridinyl)diazenyl]-, sodium salt, hydrate (1:1:1)
CAS No: 16593-81-0 Catalog No: AG001WFK MDL No:MFCD00044237
Product Description
Catalog Number:
AG001WFK
Chemical Name:
1,3-Benzenediol, 4-[2-(2-pyridinyl)diazenyl]-, sodium salt, hydrate (1:1:1)
CAS Number:
16593-81-0
Molecular Formula:
C11H11N3NaO3
Molecular Weight:
256.2131
MDL Number:
MFCD00044237
IUPAC Name:
sodium;5-hydroxy-2-(pyridin-2-yldiazenyl)phenolate;hydrate
InChI:
InChI=1S/C11H9N3O2.Na.H2O/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;;/h1-7,15-16H;;1H2/q;+1;/p-1
InChI Key:
KMHFHNVYQMFVAN-UHFFFAOYSA-M
SMILES:
Oc1ccc(c(c1)O)N=Nc1ccccn1.O.[Na]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.209g/mol
Monoisotopic Mass:
255.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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