(1S,E)-(-)-Camphorquinone 3-oxime | SBID = 109 | Compound | Pubchem logo

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 49.7
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 2.3
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 3.0
Number of Stereogenic Bonds (E/Z): 1.0
Number of Stereogenic Atoms (R/S): 2.0
3D Volume/Å3: 143.7
Sum Formula: C10H15NO2
M / g/mol: 181.235
Complexity: 306.0
Number of Conformers: 1.0

Identifiers

  • Tags: typical guest
  • Name: (1S,E)-(-)-Camphorquinone 3-oxime
  • Preferred Abbreviation: (S)-Camphorquinone 3-oxime
  • IUPAC Name: (1S,3Z,4R)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
  • CAS: 251645-83-7
  • CID: 9694768
  • InChiKey: YRNPDSREMSMKIY-VWXBLIEFSA-N
  • InChi: InChI=1S/C10H15NO2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11-13/h6,13H,4-5H2,1-3H3/b11-7-/t6-,10+/m0/s1
  • CanoSmiles: CC1(C2CCC1(C(=O)C2=NO)C)C
  • IsoSmiles: C[C@]12CC[C@H](C1(C)C)/C(=N/O)/C2=O