| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 15 | Yes |
Popular Name: 2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetic acid 2-(3-oxo-3,4-dihydro-2H-1,4-benz…
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CAS Numbers: 134997-91-4 , [134997-91-4]
2-(3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-acetic acid
2-(3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl)-aceticacid
2-(3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)acetic 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) | 0.39 | 2.14 | -46.37 | 1 | 5 | -1 | 78 | 206.177 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 281 - 283 | KeyOrganics |
| MP | 281-283° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.