| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 13 | Yes |
Popular Name: 1-allyl-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid 1-allyl-2-oxo-1,2-dihydro-3-pyri…
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CAS Numbers: 66158-33-6 , [66158-33-6]
1-Allyl-2-oxo-1,2-dihydro-3-pyridinecarboxylicacid
1-Allyl-2-oxo-1,2-dihydropyridine-3-carboxylic 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) | 0.49 | 5.38 | -74.46 | 0 | 4 | -1 | 62 | 178.167 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.87 | 10.17 | -14.99 | 1 | 6 | 0 | 69 | 453.98 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 126 - 127 | KeyOrganics |
| MP | 126-127° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
