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2- (Hydroxyamino) cyclohexan-1-one oxime acetate

CAT: 0127-OR0510Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
13785-65-4
Synonyms
N-Hydroxy-2- (hydroxyimino) cyclohexylamine acetate (1:1)
MDL Number
MFCD00168319
Purity
=95%
Smiles
CC(=O)O.ONC1CCCC/C/1=N\O

Chemical Information

2-(Hydroxyamino)cyclohexan-1-one oxime acetate
CAS Number13785-65-4
PubChem CID379373
IUPAC Nameacetic acid;N-[2-(hydroxyamino)cyclohexylidene]hydroxylamine
Molecular FormulaC8H16N2O4
Molecular Weight204.22
Topological Polar Surface Area102
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity167
SMILES
CC(=O)O.C1CCC(=NO)C(C1)NO
InChI
InChI=1S/C6H12N2O2.C2H4O2/c9-7-5-3-1-2-4-6(5)8-10;1-2(3)4/h5,7,9-10H,1-4H2;1H3,(H,3,4)
InChIKey
RWPYLBIFODZUGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Hydroxyamino)cyclohexan-1-one oxime acetate
CAS: 13785-65-4
CID: 379373
Formula: C8H16N2O4
MW: 204.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.22
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass204.11100700
Monoisotopic Mass204.11100700
Topological Polar Surface Area102 Ų
Heavy Atom Count14
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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