| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 14 | Yes |
Popular Name: 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid 3-oxo-3,4-dihydro-2H-1,4-benzoxa…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 214848-62-1 , [214848-62-1]
2H-1,4-benzoxazine-7-carboxylic acid, 3,4-dihydro-3-oxo-
3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylicacid
| 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) | 0.87 | 1.37 | -48.03 | 1 | 5 | -1 | 78 | 192.15 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 321 - 323 | Enamine Building Blocks |
| MP | 321...323 | Enamine Building Blocks |
| MP | 329 - 331 | Enamine Building Blocks |
| MP | 330 - 332 | Enamine Building Blocks |
| melting_point | 332 - 334 | KeyOrganics |
| MP | 332-334° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0816348A1; US5811427 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
