| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 12 | Yes |
Popular Name: 3-Methylmandelic acid 3-Methylmandelic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 61008-98-8 , 65148-70-1
| 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) | 0.80 | 3.3 | -47.06 | 1 | 3 | -1 | 60 | 165.168 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 95-96° | Oakwood Chemical |
| Purity | 97 | Fluorochem |
| Purity | 98% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0005779A2; EP0023080A1; EP0023459A1; EP0816316A1; US3985738; US4112228; US4172196; US4218380; US4297489; US4333877; US4339602 | IBM Patent Data |
