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Oxyma

CAT: 0926-FE04090-05Size: 10 KgDry Ice: NoHazardous: No
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CAT#:0926-FE04090-05Size:10 Kg
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CAS Number
3849-21-6
Synonyms
Ethyl (hydroxyimino) cyanoacetate; Ethyl oximinocyanoacetate; Ethyl isonitrosocyanoacetate
MDL Number
MFCD00002112
Smiles
CCOC (=O) /C (=N/O) /C#N
Molecular Formula
C5H6N2O3
Molecular Weight
142.11 g/mol
Controlled
No

Chemical Information

Ethyl 2-cyano-2-(hydroxyimino)acetate

structure in first source

CAS Number3849-21-6
PubChem CID6399078
IUPAC Nameethyl 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(=NO)C#N
InChI
InChI=1S/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h9H,2H2,1H3
InChIKey
LCFXLZAXGXOXAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-cyano-2-(hydroxyimino)acetate
CAS: 3849-21-6
CID: 6399078
Formula: C5H6N2O3
MW: 142.11
Interactive 3D Structure
Loading 3D structure...
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 Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes