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(2-Ethoxyimino) Malononitrile

CAT: 1596-AR-A05544-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A05544-01Size:10 Units
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CAS Number
84981-58-8
Molecular Formula
C5H5N3O
Molecular Weight
123.12
API Name
Acrylic acid

Chemical Information

2-(Ethoxyimino)malononitrile
CAS Number84981-58-8
PubChem CID13069120
IUPAC Name2-ethoxyiminopropanedinitrile
Molecular FormulaC5H5N3O
Molecular Weight123.11
XLogP1
Topological Polar Surface Area69.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity183
SMILES
CCON=C(C#N)C#N
InChI
InChI=1S/C5H5N3O/c1-2-9-8-5(3-6)4-7/h2H2,1H3
InChIKey
JSHSRYJYYUXPMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Ethoxyimino)malononitrile
CAS: 84981-58-8
CID: 13069120
Formula: C5H5N3O
MW: 123.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight123.11
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass123.043261792
Monoisotopic Mass123.043261792
Topological Polar Surface Area69.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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OR23610-012- (Ethoxymethylene) malononitrile
OR1009842-012- (Phenylazo) Malononitrile
OR111250(2-Bromobenzylidene) malononitrile
FP152726-012-Phenyl-malononitrile
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