| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2012 | 16 | Yes |
Popular Name: 3-(4-tert-Butylphenyl)propionic acid, 97% 3-(4-tert-Butylphenyl)propionic …
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CAS Number: 1208-64-6
| 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) | 3.76 | 9.67 | -44.62 | 0 | 2 | -1 | 40 | 219.304 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.76 | 7.7 | -5.17 | 1 | 2 | 0 | 37 | 220.312 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 102? | Alfa-Aesar |
| Melting_Point | 102° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.