| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2013 | 14 | No |
Popular Name: 3-(4-Formylphenyl)propionic acid, 96% 3-(4-Formylphenyl)propionic acid…
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CAS Number: 34961-64-3
| 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) | 1.88 | 7.14 | -47.88 | 0 | 3 | -1 | 57 | 191.206 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.88 | 5.17 | -9.85 | 1 | 3 | 0 | 54 | 192.214 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | ca 136? dec | Alfa-Aesar |
| Melting_Point | ca 136° dec | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.