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68214-59-5 | 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(phenylazo)-1,3'-bipyridinium malate
CAS No: 68214-59-5 Catalog No: AG00FESW MDL No:
Product Description
Catalog Number:
AG00FESW
Chemical Name:
1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(phenylazo)-1,3'-bipyridinium malate
CAS Number:
68214-59-5
IUPAC Name:
2,4-dihydroxy-4-oxobutanoate;6-hydroxy-4-methyl-5-phenyldiazenyl-3-pyridin-1-ium-1-yl-1H-pyridin-2-one
InChI:
InChI=1S/C17H14N4O2.C4H6O5/c1-12-14(20-19-13-8-4-2-5-9-13)16(22)18-17(23)15(12)21-10-6-3-7-11-21;5-2(4(8)9)1-3(6)7/h2-11H,1H3,(H-,18,19,22,23);2,5H,1H2,(H,6,7)(H,8,9)
InChI Key:
SRVTVXCADDRHGS-UHFFFAOYSA-N
EC Number:
269-301-4
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.133g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
440.412g/mol
Monoisotopic Mass:
440.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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