2-((1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl)acetate | SBID = 1678 | 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: C9H13O2-
M / g/mol: 153.19832
Complexity:
Number of Conformers:

Identifiers

  • Tags: anion, typical guest, charged
  • Name: 2-((1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl)acetate
  • Preferred Abbreviation: bicyclo[2.2.1]heptan-2-yl)acetate
  • IUPAC Name:
  • CAS:
  • CID: -662
  • InChiKey: FYHBMPWRHCWNBC-UHFFFAOYSA-M
  • InChi: InChI=1S/C9H14O2/c10-9(11)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H,10,11)/p-1
  • CanoSmiles: [O-]C(=O)C[C@H]1C[C@@H]2C[C@H]1CC2
  • IsoSmiles: [O-]C(C[C@@H]1[C@@H]2CC[C@@H](C2)C1)=O