| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2008 | 14 | No |
Popular Name: 1-(4-Methoxyphenyl)butane-1,3-dione 1-(4-Methoxyphenyl)butane-1,3-dione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4023-80-7 , [4023-80-7]
| 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) | 1.33 | 6.52 | -16.25 | 0 | 3 | 0 | 43 | 192.214 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 6.46 | -46.12 | 0 | 3 | -1 | 49 | 191.206 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 5.41 | -51.42 | 0 | 3 | -1 | 49 | 191.206 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 52 - 54 | Enamine Building Blocks |
| MP | 52...54 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.