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Home > Pyridines > 161153-99-7
161153-99-7 | (5E)-4-hydroxy-5-(hydroxyimino)-2,7-dimethyl-5H-pyrano[2,3-b]pyridin-8-ium-8-olate
CAS No: 161153-99-7 Catalog No: AG00IONB MDL No:MFCD01568654
Product Description
Catalog Number:
AG00IONB
Chemical Name:
(5E)-4-hydroxy-5-(hydroxyimino)-2,7-dimethyl-5H-pyrano[2,3-b]pyridin-8-ium-8-olate
CAS Number:
161153-99-7
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD01568654
IUPAC Name:
8-hydroxy-5-hydroxyimino-2,7-dimethylpyrano[2,3-b]pyridin-4-one
InChI:
InChI=1S/C10H10N2O4/c1-5-3-7(11-14)9-8(13)4-6(2)16-10(9)12(5)15/h3-4,14-15H,1-2H3
InChI Key:
YICHNBUJOKUWAW-UHFFFAOYSA-N
SMILES:
O/N=c/1\cc(C)[n+](c2c1c(O)cc(o2)C)[O-]
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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