| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 14 | No |
Popular Name: 5-Phenylcyclohexane-1,3-dione 5-Phenylcyclohexane-1,3-dione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 35376-44-4 , 493-72-1 , [35376-44-4] , [493-72-1]
3-Hydroxy-5-phenyl-2-cyclohexen-1-one
3-Hydroxy-5-phenyl-2-cyclohexen-1-one, 97%
3-Hydroxy-5-phenyl-cyclohex-2-enone
3-hydroxy-5-phenylcyclohex-2-en-1-one
| 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) | 2.14 | 6.3 | -41.5 | 0 | 2 | -1 | 40 | 187.218 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 6.3 | -41.52 | 0 | 2 | -1 | 40 | 187.218 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.14 | 4.57 | -9.02 | 1 | 2 | 0 | 37 | 188.226 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 6.5 | -9.86 | 0 | 2 | 0 | 34 | 188.226 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 186-187? | Alfa-Aesar |
| Melting_Point | 186-187° | Alfa-Aesar |
| MP | 187-189° | Oakwood Chemical |
| MP | 188° | Oakwood Chemical |
| MP | 195-197° | Oakwood Chemical |
| melting_point | 196 - 198 | KeyOrganics |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Melting_Point | ca 185? dec. | Alfa-Aesar |
| Melting_Point | ca 185° dec. | Alfa-Aesar |
| Warnings | IRRITANT | Matrix Scientific |
