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72765-55-0 | 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-[[4-(phenylazo)phenyl]azo]-1,3'-bipyridinium malate
CAS No: 72765-55-0 Catalog No: AG00FESU MDL No:
Product Description
Catalog Number:
AG00FESU
Chemical Name:
1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-[[4-(phenylazo)phenyl]azo]-1,3'-bipyridinium malate
CAS Number:
72765-55-0
IUPAC Name:
2-hydroxybutanedioate;(3Z)-4-methyl-3-[(4-phenyldiazenylphenyl)hydrazinylidene]-5-pyridin-1-ium-1-ylpyridin-1-ium-2,6-dione
InChI:
InChI=1S/C23H18N6O2.C4H6O5/c1-16-20(22(30)24-23(31)21(16)29-14-6-3-7-15-29)28-27-19-12-10-18(11-13-19)26-25-17-8-4-2-5-9-17;5-2(4(8)9)1-3(6)7/h2-15H,1H3,(H-,24,25,27,30,31);2,5H,1H2,(H,6,7)(H,8,9)
InChI Key:
CVCMSDGQKGXYDG-UHFFFAOYSA-N
EC Number:
276-827-8
Properties
Complexity:
872
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
544.171g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
544.524g/mol
Monoisotopic Mass:
544.171g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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