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4-Pyridinealdoxime

CAT: 0572-TRC-P991300-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P991300-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
696-54-8
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
O\N=C\c1ccncc1
Molecular Formula
C6 H6 N2 O
Molecular Weight
122.12
InChI
InChI=1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H/b8-5+
Additionnal Information
IUPAC name: (NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Pyridinealdoxime

RN given for cpd without isomeric designation

CAS Number696-54-8
PubChem CID135460230
IUPAC Name(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
Molecular FormulaC6H6N2O
Molecular Weight122.12
XLogP0.8
Topological Polar Surface Area45.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity97
SMILES
C1=CN=CC=C1/C=N/O
InChI
InChI=1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H/b8-5+
InChIKey
OFYLBLSSPQTTHT-VMPITWQZSA-N
Chemical Structure
2D Structure
2D structure of 4-Pyridinealdoxime
CAS: 696-54-8
CID: 135460230
Formula: C6H6N2O
MW: 122.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.12
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass122.048012819
Monoisotopic Mass122.048012819
Topological Polar Surface Area45.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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