| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 11 | Yes |
Popular Name: Pentamethylbenzene Pentamethylbenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 700-12-9 , [700-12-9]
| 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) | 3.96 | 7.37 | -2.74 | 0 | 0 | 0 | 0 | 148.249 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 3.96 | 7.46 | -8.37 | 0 | 0 | 0 | 0 | 148.249 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 231-232? | Alfa-Aesar |
| BP | 231-232° | Oakwood Chemical |
| Melting_Point | 50-51? | Alfa-Aesar |
| MP | 50-51° | Oakwood Chemical |
| MP | 53 | TCI |
| Purity | 98% | Fluorochem |
