| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 13 | Yes |
Popular Name: 9-oxobicyclo[3.3.1]non-6-ene-3-carboxylic acid 9-oxobicyclo[3.3.1]non-6-ene-3-c…
Find On: PubMed — Wikipedia — Google
CAS Number: 159345-17-2
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.41 | 4.86 | -45.38 | 0 | 3 | -1 | 57 | 179.195 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | WO2000001692A1 | IBM Patent Data |
