Malononitrile 98% For Synthesis

CAT: 1507-292100100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1507-292100100Size:100 mg

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CAS Number

109-77-3

HSN Code

29269000

Chemical Information

Malononitrile

Malononitrile is a dinitrile that is methane substituted by two cyano groups. It is a dinitrile and an aliphatic nitrile.

CAS Number	109-77-3
PubChem CID	8010
IUPAC Name	propanedinitrile
Molecular Formula	C3H2N2
Molecular Weight	66.06
XLogP	-0.5
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	82

SMILES

C(C#N)C#N

InChI

InChI=1S/C3H2N2/c4-2-1-3-5/h1H2

InChIKey

CUONGYYJJVDODC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 109-77-3

CID: 8010

Formula: C3H2N2

MW: 66.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	66.06
XLogP3	-0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	66.021798072
Monoisotopic Mass	66.021798072
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	82.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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