3-noradamantanecarboxylic acid | SBID = 1201 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C10H14O2
M / g/mol: 166.21696
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 3-noradamantanecarboxylic acid
  • Preferred Abbreviation: 3-noradamantanecarboxylic acid
  • IUPAC Name: hexahydro-2,​5-​methanopentalene-​3a(1H)​-​carboxylic acid
  • CAS: 16200-53-6
  • CID: -394
  • InChiKey: RXUUYFUQAGICCD-UHFFFAOYSA-N
  • InChi: InChI=1S/C10H14O2/c11-9(12)10-4-6-1-7(5-10)3-8(10)2-6/h6-8H,1-5H2,(H,11,12)
  • CanoSmiles: OC(=O)[C@]12C[C@H]3C[C@@H]2C[C@@H](C1)C3
  • IsoSmiles: OC([C@]12C[C@@H]3C[C@@H](C[C@H]2C3)C1)=O