1-adamantane carboxylate | SBID = 1601 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 7
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: C11H15O2-
M / g/mol: 179.24
Complexity:
Number of Conformers:

Identifiers

  • Tags: anion, typical guest, charged
  • Name: 1-adamantane carboxylate
  • Preferred Abbreviation: 1-adamantane carboxylate
  • IUPAC Name:
  • CAS:
  • CID: -637
  • InChiKey: JIMXXGFJRDUSRO-MSJOFSJJSA-M
  • InChi: InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)/p-1/t7-,8+,9-,11?
  • CanoSmiles: O=C([O-])C12C[C@@H]3C[C@H](C1)C[C@H](C2)C3
  • IsoSmiles: O=C([O-])C12C[C@@H]3C[C@H](C1)C[C@H](C2)C3