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100928-14-1 | 2-Pyridinecarboxylic acid, 6-[[(acetyloxy)imino]methyl]-
CAS No: 100928-14-1 Catalog No: AG000375 MDL No:
Product Description
Catalog Number:
AG000375
Chemical Name:
2-Pyridinecarboxylic acid, 6-[[(acetyloxy)imino]methyl]-
CAS Number:
100928-14-1
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
IUPAC Name:
6-(acetyloxyiminomethyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C9H8N2O4/c1-6(12)15-10-5-7-3-2-4-8(11-7)9(13)14/h2-5H,1H3,(H,13,14)
InChI Key:
IQPLFMRTFQZVEJ-UHFFFAOYSA-N
SMILES:
CC(=O)ON=Cc1cccc(n1)C(=O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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