| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | Yes |
Popular Name: 4-(4-methylphenyl)-4-oxobutanoic acid 4-(4-methylphenyl)-4-oxobutanoic…
Find On: PubMed — Wikipedia — Google
CAS Number: 4619-20-9
3-(4-Methylbenzoyl)propionic acid
3-(4-Methylbenzoyl)propionic acid, 98%
4-(4-Methylphenyl)-4-oxobutyric acid
| 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) | 1.70 | 7.14 | -45.83 | 0 | 3 | -1 | 57 | 191.206 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 5.16 | -7.53 | 1 | 3 | 0 | 54 | 192.214 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 124-128? | Alfa-Aesar |
| Melting_Point | 124-128° | Alfa-Aesar |
| Mp [°C] | 127 - 130 | Acros Organics |
| MP | 128 | TCI |
| Purity | 98% | APIChem |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
