2-naphtalenecarboxylate | SBID = 1674 | 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: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C11H7O2-
M / g/mol: 171.17208
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, anion, typical guest, charged
  • Name: 2-naphtalenecarboxylate
  • Preferred Abbreviation: 2-naphtalenecarboxylate
  • IUPAC Name:
  • CAS:
  • CID: -658
  • InChiKey: UOBYKYZJUGYBDK-UHFFFAOYSA-M
  • InChi: InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)/p-1
  • CanoSmiles: [O-]C(=O)c1ccc2c(c1)cccc2
  • IsoSmiles: [O-]C(C1=CC2=CC=CC=C2C=C1)=O