7-Methoxy-4-methylflavylium cation | SBID = 971 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C17H15O2+
M / g/mol: 251.2998
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, typical guest, charged
  • Name: 7-Methoxy-4-methylflavylium cation
  • Preferred Abbreviation: 7-Methoxy-4-methylflavylium cation
  • IUPAC Name:
  • CAS:
  • CID: -309
  • InChiKey: WDIPHUVFRNKFHY-UHFFFAOYSA-N
  • InChi: InChI=1S/C17H15O2/c1-12-10-16(13-6-4-3-5-7-13)19-17-11-14(18-2)8-9-15(12)17/h3-11H,1-2H3/q+1
  • CanoSmiles: COc1ccc2c(c1)[o+]c(cc2C)c1ccccc1
  • IsoSmiles: CC1=C2C=CC(OC)=CC2=[O+]C(C3=CC=CC=C3)=C1