| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2008 | 13 | Yes |
Popular Name: 3,6-Dihydroxy-2-methoxybenzoic acid 3,6-Dihydroxy-2-methoxybenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 118303-91-6
2-HYDROXY-3-METHOXYBENZOIC ACID; [877-22-5]
o-Vanillic Acid Monohydrate [877-22-5]; (2-Hydroxy-3-methoxybenzoic acid: 3-methoxysalicylic acid)
| 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) | 0.96 | -1.38 | -58.25 | 2 | 5 | -1 | 90 | 183.139 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 147-150 °C(lit.) | Indofine |
| MP | 152o C | Indofine |
No pre-computed analogs available. Try a structural similarity search.