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114658-06-9 | Ethanone, 1-(3-hydroxy-2-pyridinyl)-, oxime, (E)- (9CI)
CAS No: 114658-06-9 Catalog No: AG000EZ0 MDL No:
Product Description
Catalog Number:
AG000EZ0
Chemical Name:
Ethanone, 1-(3-hydroxy-2-pyridinyl)-, oxime, (E)- (9CI)
CAS Number:
114658-06-9
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
IUPAC Name:
2-(N-hydroxy-C-methylcarbonimidoyl)pyridin-3-ol
InChI:
InChI=1S/C7H8N2O2/c1-5(9-11)7-6(10)3-2-4-8-7/h2-4,10-11H,1H3
InChI Key:
RELPIWLKEDFNTG-UHFFFAOYSA-N
SMILES:
O/N=C(/c1ncccc1O)\C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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