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Ethoxymethylenemalononitrile

CAT: 1596-AR-M08108-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M08108-01Size:10 Units
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CAS Number
123-06-8
Synonyms
2- (Ethoxymethylene) propanedinitrile; (Ethoxymethylene) malonodinitrile; 1,1-Dicyano-2-ethoxyethene; 1-Ethoxy-2,2-dicyanoethene; 1-Ethoxy-2,2-dicyanoethylene; NSC 27792; ?-Cyano-?-ethoxyacrylonitrile
Molecular Formula
C6H6N2O
Molecular Weight
122.12
API Name
Miscellaneous

Chemical Information

2-(Ethoxymethylene)propanedinitrile

structure given in first source

CAS Number123-06-8
PubChem CID67152
IUPAC Name2-(ethoxymethylidene)propanedinitrile
Molecular FormulaC6H6N2O
Molecular Weight122.12
XLogP0.5
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity182
SMILES
CCOC=C(C#N)C#N
InChI
InChI=1S/C6H6N2O/c1-2-9-5-6(3-7)4-8/h5H,2H2,1H3
InChIKey
OEICGMPRFOJHKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Ethoxymethylene)propanedinitrile
CAS: 123-06-8
CID: 67152
Formula: C6H6N2O
MW: 122.12
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.12
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass122.048012819
Monoisotopic Mass122.048012819
Topological Polar Surface Area56.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity182
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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