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Sodium tricyanomethanide

CAT: 1552-KI-0049-SG-1000Size: 1 KgDry Ice: NoHazardous: No
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CAT#:1552-KI-0049-SG-1000Size:1 Kg
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CAS Number
36603-80-2
Product Name Alternative
KI 0049, 1 kg
Purity
98%
Molecular Formula
C4N3Na
Molecular Weight
113,05
IUPAC Name
Sodium tricyanomethanide

Chemical Information

2-cyanomalononitrile sodium salt
CAS Number36603-80-2
PubChem CID24840070
IUPAC Namesodium methanetricarbonitrile
Molecular FormulaC4N3Na
Molecular Weight113.05
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity155
SMILES
C(#N)[C-](C#N)C#N.[Na+]
InChI
InChI=1S/C4N3.Na/c5-1-4(2-6)3-7;/q-1;+1
InChIKey
LOYHZHALCDOXIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-cyanomalononitrile sodium salt
CAS: 36603-80-2
CID: 24840070
Formula: C4N3Na
MW: 113.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight113.05
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass112.99899129
Monoisotopic Mass112.99899129
Topological Polar Surface Area71.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes