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85720-93-0 | SODIUM 5-AMINO-2-[(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-4-YL)AZO]BENZOATE
CAS No: 85720-93-0 Catalog No: AG004YNC MDL No:
Product Description
Catalog Number:
AG004YNC
Chemical Name:
SODIUM 5-AMINO-2-[(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-4-YL)AZO]BENZOATE
CAS Number:
85720-93-0
Molecular Formula:
C11H10N5NaO3
Molecular Weight:
283.2186
IUPAC Name:
sodium;5-amino-2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]benzoate
InChI:
InChI=1S/C11H11N5O3.Na/c1-5-9(10(17)16-13-5)15-14-8-3-2-6(12)4-7(8)11(18)19;/h2-4,9H,12H2,1H3,(H,16,17)(H,18,19);/q;+1/p-1
InChI Key:
GMCWDMFKNUXJBP-UHFFFAOYSA-M
SMILES:
O=C1NN=C(C1N=Nc1ccc(cc1C(=O)[O-])N)C.[Na+]
EC Number:
288-401-9
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.223g/mol
Monoisotopic Mass:
283.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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