| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 13 | Yes |
Popular Name: 3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid 3-(1,3,5-trimethyl-1H-pyrazol-4-…
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CAS Numbers: , 1269087-62-8 , 956352-96-8 , [956352-96-8]
3-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-propionic acid
3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid hydrochloride
| 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) | 0.70 | 5.34 | -47.15 | 0 | 4 | -1 | 58 | 181.215 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.70 | 5.48 | -49.53 | 1 | 4 | 0 | 59 | 182.223 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 137 - 139 | Enamine Building Blocks |
| MP | 137...139 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
