| 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 Numbers: 171054-89-0 , 4619-20-9 , [4619-20-9]
3-(4-Methylbenzoyl)-propionic Acid
3-(4-METHYLBENZOYL)PROPANOIC ACID
3-(4-Methylbenzoyl)propionic acid
3-(4-Methylbenzoyl)propionic acid, 98%
3-(4-Methylbenzoyl)PropionicAcid
4-(4-Methylphenyl)-4-oxobutyric acid
4-Ethylmorpholine bis(4-oxo-4-(p-tolyl)butanoate)
4-Oxo-4-(p-tolyl)butanoic 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 | 126 - 128 | Enamine Building Blocks |
| MP | 126...128 | Enamine Building Blocks |
| MP | 127 - 130 | Enamine Building Blocks |
| MP | 128 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | APIChem |
