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85539-36-2 | 3-[2-(5-Cyano-1,2-dihydro-6-hydroxy-4-Methyl-2-oxo-3-pyridinyl)diazenyl]-4-Methoxybenzenesulfonic Acid
CAS No: 85539-36-2 Catalog No: AG00G4SZ MDL No:
Product Description
Catalog Number:
AG00G4SZ
Chemical Name:
3-[2-(5-Cyano-1,2-dihydro-6-hydroxy-4-Methyl-2-oxo-3-pyridinyl)diazenyl]-4-Methoxybenzenesulfonic Acid
CAS Number:
85539-36-2
IUPAC Name:
3-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-4-methoxybenzenesulfonic acid
InChI:
InChI=1S/C14H12N4O6S/c1-7-9(6-15)13(19)16-14(20)12(7)18-17-10-5-8(25(21,22)23)3-4-11(10)24-2/h3-5H,1-2H3,(H2,16,19,20)(H,21,22,23)
InChI Key:
DDJSTNFXJWUVIA-UHFFFAOYSA-N
Properties
Complexity:
814
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.048g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
364.332g/mol
Monoisotopic Mass:
364.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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