| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 13 | Yes |
Popular Name: Suberic acid monomethyl ester Suberic acid monomethyl ester
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3946-32-5 , [3946-32-5]
| 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) | 1.67 | 5.86 | -48.82 | 0 | 4 | -1 | 66 | 187.215 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 8.24 | -37.68 | 1 | 3 | 1 | 25 | 235.351 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 135 / 1 | TCI |
| Melting_Point | 17-19? | Alfa-Aesar |
| Melting_Point | 17-19° | Alfa-Aesar |
| Boiling_Point | 185-186?/18mm | Alfa-Aesar |
| Boiling_Point | 185-186°/18mm | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Purity | 96% | Fluorochem |
