2,2'-(cyclohexa-2,5-diene-1,4-diylidene)dimalononitrile | SBID = 2414 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 95.16
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.42
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C12H4N4
M / g/mol: 204.18696
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 2,2'-(cyclohexa-2,5-diene-1,4-diylidene)dimalononitrile
  • Preferred Abbreviation: 2,2'-(cyclohexa-2,5-diene-1,4-diylidene)dimalononitrile
  • IUPAC Name:
  • CAS:
  • CID: -1015
  • InChiKey: PCCVSPMFGIFTHU-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H4N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H
  • CanoSmiles: N#CC(=c1ccc(=C(C#N)C#N)cc1)C#N
  • IsoSmiles: N#C/C(C#N)=C(C=C/1)\C=CC1=C(C#N)\C#N