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696-53-7

696-53-7 | 4-Pyridinecarboxaldehyde, oxime, (Z)-

CAS No: 696-53-7 Catalog No: AG005JNX MDL No:

Product Description

Catalog Number:
AG005JNX
Chemical Name:
4-Pyridinecarboxaldehyde, oxime, (Z)-
CAS Number:
696-53-7
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
IUPAC Name:
(NZ)-N-(pyridin-4-ylmethylidene)hydroxylamine
InChI:
InChI=1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H/b8-5-
InChI Key:
OFYLBLSSPQTTHT-YVMONPNESA-N
SMILES:
O/N=C\c1ccncc1
EC Number:
211-796-6

Properties

Complexity:
97.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
122.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
122.127g/mol
Monoisotopic Mass:
122.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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