| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 14 | Yes |
Popular Name: 4-Butoxybenzoic acid 4-Butoxybenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1498-96-0 , [1498-96-0]
| 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) | 3.34 | 6.87 | -46.94 | 0 | 3 | -1 | 49 | 193.222 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 142 - 144 | Enamine Building Blocks |
| MP | 142...144 | Enamine Building Blocks |
| Melting_Point | 146-147? (C-N) | Alfa-Aesar |
| Melting_Point | 146-147° (C-N) | Alfa-Aesar |
| MP | 146.5° | Matrix Scientific |
| MP | 147 - 150 | Enamine Building Blocks |
| MP | 162 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
