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699-07-0 | 4-Pyridinecarboxaldehyde,oxime, 1-oxide
CAS No: 699-07-0 Catalog No: AG005T1Z MDL No:
Product Description
Catalog Number:
AG005T1Z
Chemical Name:
4-Pyridinecarboxaldehyde,oxime, 1-oxide
CAS Number:
699-07-0
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
IUPAC Name:
1-hydroxy-4-(nitrosomethylidene)pyridine
InChI:
InChI=1S/C6H6N2O2/c9-7-5-6-1-3-8(10)4-2-6/h1-5,10H
InChI Key:
XOTXPRUFDURHKP-UHFFFAOYSA-N
SMILES:
ON=Cc1cc[n+](cc1)[O-]
EC Number:
211-825-2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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