| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 23 | Yes |
Popular Name: NEOPENTYL GLYCOL DIBENZOATE NEOPENTYL GLYCOL DIBENZOATE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4196-89-8 , [4196-89-8]
1,3-Propanediol,2,2-dimethyl-, 1,3-dibenzoate
2,2-Dimethyl-1,3-propanediol dibenzoate
| 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) | 5.06 | 4.16 | -9.89 | 0 | 4 | 0 | 52 | 312.365 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 271 / 40 | TCI |
| MP | 49 | TCI |
