| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 11 | Yes |
Popular Name: 4-(2-hydroxyethyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one 4-(2-hydroxyethyl)-2,5-dimethyl-…
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CAS Numbers: 258281-02-6 , [258281-02-6]
1,2-Dihydro-2,5-dimethyl-4-(2-hydroxyethyl)-3H-pyrazol-3-one
4-(2-Hydroxyethyl)-2,5-dimethyl-1H-pyrazol-3(2H)-one
| 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) | -0.47 | -0.49 | -16.04 | 2 | 4 | 0 | 58 | 156.185 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.01 | -1.75 | -44.75 | 1 | 4 | -1 | 61 | 155.177 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | -2.55 | -8.02 | 2 | 4 | 0 | 58 | 156.185 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 78 - 81 | KeyOrganics |
| MP | 78-81° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
