(1S,3R)-(-)-Camphoric acid | SBID = 107 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 74.6
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 1.3
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 2.0
3D Volume/Å3: 153.8
Sum Formula: C10H16O4
M / g/mol: 200.234
Complexity: 282.0
Number of Conformers: 4.0

Identifiers

  • Tags: typical guest
  • Name: (1S,3R)-(-)-Camphoric acid
  • Preferred Abbreviation: (1S,3R)-(-)-Camphoric acid
  • IUPAC Name: (1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid
  • CAS: 560-09-8
  • CID: 219463
  • InChiKey: LSPHULWDVZXLIL-QUBYGPBYSA-N
  • InChi: InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t6-,10+/m0/s1
  • CanoSmiles: CC1(C(CCC1(C)C(=O)O)C(=O)O)C
  • IsoSmiles: C[C@@]1(CC[C@H](C1(C)C)C(=O)O)C(=O)O