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Ethyl (E) -2-cyano-2- (hydroxyimino) acetate

CAT: 0127-OR1002113-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1002113-01Size:5 g
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CAS Number
56503-39-0
Purity
97%
Smiles
CCOC(/C(C#N)=N/O)=O

Chemical Information

Ethyl (E)-cyano(hydroxyimino)acetate
CAS Number56503-39-0
PubChem CID6399475
IUPAC Nameethyl (2Z)-2-cyano-2-hydroxyiminoacetate
Molecular FormulaC5H6N2O3
Molecular Weight142.11
XLogP1.3
Topological Polar Surface Area82.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity200
SMILES
CCOC(=O)/C(=N\O)/C#N
InChI
InChI=1S/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h9H,2H2,1H3/b7-4-
InChIKey
LCFXLZAXGXOXAP-DAXSKMNVSA-N
Chemical Structure
2D Structure
2D structure of Ethyl (E)-cyano(hydroxyimino)acetate
CAS: 56503-39-0
CID: 6399475
Formula: C5H6N2O3
MW: 142.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.11
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass142.03784206
Monoisotopic Mass142.03784206
Topological Polar Surface Area82.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity200
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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Alternative Products

CatalogName
TYD-00034-01Ethyl 2-cyano-2- (hydroxyimino) acetate
449610-01Ethyl Cyano (hydroxyimino) acetate
TRC-E918840-250GEthyl Cyano(hydroxyimino)acetate
FE34373-01Ethyl 2-chloro-2- (hydroxyimino) acetate
sc-327103AEthyl 2- (benzylamino) -2- (hydroxyimino) acetate
TRC-E928420-25MGEthyl 2-Amino(hydroxyimino)acetate
sc-327110Ethyl 2- (hydroxyimino) -2- (4-phenylpiperazino) -acetate
275237-01Ethyl cyano (2-nitrophenyl) acetate
TRC-E908175-500MGEthyl Cyano(2-nitrophenyl)acetate
CEA27685-01Ethyl 2-cyano-2- (2-fluorophenyl) acetate

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