CCN

ACETONITRILE

Created:	1999-07-08
Last modified:	2011-06-04

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62 entries where CCN is found as a standalone ligand2 entries where CCN is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	6
Chiral Atom Count	0
Bond Count	5
Aromatic Bond Count	0

2D diagram of CCN

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Chemical Component Summary
Name	ACETONITRILE
Systematic Name (OpenEye OEToolkits)	ethanenitrile
Formula	C₂ H₃ N
Molecular Weight	41.052
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	N#CC
SMILES	CACTVS	3.352	CC#N
SMILES	OpenEye OEToolkits	1.7.0	CC#N
Canonical SMILES	CACTVS	3.352	CC#N
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC#N
InChI	InChI	1.03	InChI=1S/C2H3N/c1-2-3/h1H3
InChIKey	InChI	1.03	WEVYAHXRMPXWCK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6342
ChEMBL	CHEMBL45211
ChEBI	CHEBI:38472
CCDC/CSD	ACAGAM, ABITUB, ABIPUY, ABOBUP, ACAGUJ, ABEWIQ, ABEHIY, ACACAL, ABIZUI, ACAFIT, ABUCUV, ACEHEX, ABAWUV, ACEGUM, ACEHIB, ACAFAL, ABUBUV, ACAWEG, ABIZUG, ABUNIV, ABAXIN, ACAYAG, ABOZOK, ABOZIE, ABOZUQ, ABOYEZ, ABOYID, ABISOX

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