| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2012 | 16 | Yes |
Popular Name: 3-[3-Methyl-5-(trifluoromethyl)phenyl]propionic acid 3-[3-Methyl-5-(trifluoromethyl)p…
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CAS Number: 1092460-65-5
3-[3-Methyl-5-(trifluoromethyl)phenyl]propionic acid, JRD
3-[3-Methyl-5-(trifluoromethyl)phenyl]propionic acid, JRD, 97%
| 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) | 3.15 | 8.29 | -43.18 | 0 | 2 | -1 | 40 | 231.193 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.15 | 6.31 | -6.61 | 1 | 2 | 0 | 37 | 232.201 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 53-56? | Alfa-Aesar |
| Melting_Point | 53-56° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.