| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 22nd, 2006 | 12 | Yes |
Popular Name: methyl 3-(hydroxymethyl)benzoate methyl 3-(hydroxymethyl)benzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 67853-03-6 , [67853-03-6]
| 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) | 1.42 | -0.23 | -8.42 | 1 | 3 | 0 | 46 | 166.176 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0773927A2; WO1996004241A2 | IBM Patent Data |
