| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2006 | 11 | No |
Popular Name: Beta-cyclocitral Beta-cyclocitral
Find On: PubMed — Wikipedia — Google
CAS Numbers: 432-24-6 , 432-25-7 , [432-24-6] , [432-25-7]
2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde; 432-25-7; C20425; beta-Cyclocitral
| 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) | 3.20 | 5.98 | -4.91 | 0 | 1 | 0 | 17 | 152.237 | 1 | ↓ |
| Ref Reference (pH 7) | 3.37 | 5.8 | -3.72 | 0 | 1 | 0 | 17 | 152.237 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 62-63?/3mm | Alfa-Aesar |
| Boiling_Point | 62-63°/3mm | Alfa-Aesar |
| PUBCHEM_PATENT_ID | US5118865 | IBM Patent Data |
