| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 8 | Yes |
Popular Name: 3-Methylpentanoic acid 3-Methylpentanoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100418-47-1 , 105-43-1 , 16958-25-1 , 1730-92-3 , [105-43-1]
| 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) | 1.45 | 3.88 | -45.19 | 0 | 2 | -1 | 40 | 115.152 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P | 41 °C | Indofine |
| Melting_Point | 42? | Alfa-Aesar |
| Melting_Point | 42° | Alfa-Aesar |
| BP | 195-198° | Matrix Scientific |
| Boiling_Point | 196-198? | Alfa-Aesar |
| Boiling_Point | 196-198° | Alfa-Aesar |
| BP | 197 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Warnings | Corrosive/Stench | Matrix Scientific |
| Warnings | STENCH, CORROSIVE | Matrix Scientific |
