| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 18 | No |
Popular Name: 4-oxo-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-butenoic acid 4-oxo-4-(3-oxo-3,4-dihydro-2H-1,…
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CAS Numbers: 26518-87-6 , [26518-87-6]
(E)-4-oxo-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-butenoic acid
4-oxo-4-(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl)-2-butenoicacid
4-Oxo-4-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)but-2-enoic 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) | 0.25 | 3.49 | -46.59 | 1 | 6 | -1 | 96 | 246.198 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 268 - 269 | KeyOrganics |
| MP | 268-269° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
