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N-Phenylhydroxylamine Oxalate

CAT: 0127-OR1043867-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1043867-01Size:5 g
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CAS Number
84447-15-4
Synonyms
N-Hydroxyaniline Oxalate
Purity
95%

Chemical Information

N-Phenylhydroxylamine oxalate
CAS Number84447-15-4
PubChem CID3069230
IUPAC Nameoxalic acid;N-phenylhydroxylamine
Molecular FormulaC8H9NO5
Molecular Weight199.16
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity131
SMILES
C1=CC=C(C=C1)NO.C(=O)(C(=O)O)O
InChI
InChI=1S/C6H7NO.C2H2O4/c8-7-6-4-2-1-3-5-6;3-1(4)2(5)6/h1-5,7-8H;(H,3,4)(H,5,6)
InChIKey
AERWWAYEYYMAPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Phenylhydroxylamine oxalate
CAS: 84447-15-4
CID: 3069230
Formula: C8H9NO5
MW: 199.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight199.16
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass199.04807239
Monoisotopic Mass199.04807239
Topological Polar Surface Area107 Ų
Heavy Atom Count14
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes