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4-Cyclohexene-1,1,2,2-tetracarbonitrile

HCID 99181
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Basic information

CAS
13358-22-0
Standard SMILES
N#CC1(C#N)CC=CCC1(C#N)C#N
InChIKey
VWONNTXWDHQSNW-UHFFFAOYSA-N
Molecular formula
C10H6N4
Average molar mass
182.18 g/mol
Monoisotopic mass
182.05924621

Names & identifiers

Preferred name
4-Cyclohexene-1,1,2,2-tetracarbonitrile
IUPAC
cyclohex-4-ene-1,1,2,2-tetracarbonitrile

Names & synonyms

4-Cyclohexene-1,1,2,2-tetracarbonitrile4,4,5,5-Tetracyano-1-cyclohexene13358-22-0NSC 191887BRN 2579851623BR41J34NSC-191887UNII-623BR41J34DTXSID901581854-09-00-03794 (Beilstein Handbook Reference)RefChem:98663DTXCID4080676
Show more names
cyclohex-4-ene-1,1,2,2-tetracarbonitrileNSC191887SCHEMBL239003614-Cyclohexene-1,2,2-tetracarbonitrileSY035634

Database identifiers

CAS
13358-22-0
PubChem CID
99181
DTXSID
DTXSID90158185
UNII
623BR41J34
Nikkaji
J48.242K

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
95.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
14
Formal charge
0
Complexity
397

Related reactions

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Compound notes

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