| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 15 | No |
Popular Name: 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoic acid 3-(3,5-dimethyl-4-nitro-1H-pyraz…
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CAS Numbers: , 90091-28-4
1H-pyrazole-1-propanoic acid, 3,5-dimethyl-4-nitro-
3-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-propanoic acid
3-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-propionic ac
3-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-propionic 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) | 0.23 | 4.72 | -42.01 | 0 | 7 | -1 | 104 | 212.185 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 116 - 118 | Enamine Building Blocks |
| MP | 116...118 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
