trans-azobenzene-TEG | SBID = 2353 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 72.64
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 2.69
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: C18H22N2O4
M / g/mol: 330.37828
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: trans-azobenzene-TEG
  • Preferred Abbreviation: trans-azobenzene-TEG
  • IUPAC Name: (E)-2-(2-(2-(4-(phenyldiazenyl)phenoxy)ethoxy)ethoxy)ethan-1-ol
  • CAS:
  • CID: -981
  • InChiKey: HKPSMSTXAHJIQM-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H22N2O4/c21-10-11-22-12-13-23-14-15-24-18-8-6-17(7-9-18)20-19-16-4-2-1-3-5-16/h1-9,21H,10-15H2
  • CanoSmiles: OCCOCCOCCOc1ccc(cc1)/N=N/c1ccccc1
  • IsoSmiles: OCCOCCOCCOC1=CC=C(/N=N/C2=CC=CC=C2)C=C1