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N-Hydroxy-1-oxy-nicotinamidine

CAT: 0572-TRC-H950160-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-H950160-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
92757-16-9
Synonyms
N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide; 3-[Amino(hydroxyimino)methyl]pyridinium-1-olate;
Hazard Statement
No Data Available
Smiles
N\C(=N/O)\c1cccn(=O)c1
Molecular Formula
C6H7N3O2
Molecular Weight
153.14
Shipping Conditions
Room Temperature

Chemical Information

N-Hydroxy-1-oxy-nicotinamidine
CAS Number92757-16-9
PubChem CID2799752
IUPAC NameN'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide
Molecular FormulaC6H7N3O2
Molecular Weight153.14
XLogP-1
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity160
SMILES
C1=CC(=C[N+](=C1)[O-])C(=NO)N
InChI
InChI=1S/C6H7N3O2/c7-6(8-10)5-2-1-3-9(11)4-5/h1-4,10H,(H2,7,8)
InChIKey
QRGUYOXSVWPAGG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Hydroxy-1-oxy-nicotinamidine
CAS: 92757-16-9
CID: 2799752
Formula: C6H7N3O2
MW: 153.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.14
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass153.053826475
Monoisotopic Mass153.053826475
Topological Polar Surface Area84.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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