| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | No |
Popular Name: 6,7-Dihydroxy-4-methyl-2H-chromen-2-one 6,7-Dihydroxy-4-methyl-2H-chrome…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 529-84-0 , [529-84-0]
2H-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl-
6,7-Dihydroxy-4-methylcoumarin
6,7-Dihydroxy-4-methylcoumarin [529-84-0]; (4-Methylesculetin)
| 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) | 1.40 | 1.66 | -12.97 | 2 | 4 | 0 | 71 | 192.17 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 274-276o C | Indofine |
| M.P | 274-277 C | Indofine |
| Purity | 95% | Fluorochem |
| Melting_Point | ca 275? dec. | Alfa-Aesar |
| Melting_Point | ca 275° dec. | Alfa-Aesar |
| Warnings | IRRITANT | Matrix Scientific |
| APPEARANCE | Light grayish powder | Indofine |
| SOLUBILITY | Soluble in DMF | Indofine |
No pre-computed analogs available. Try a structural similarity search.