| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2008 | 20 | Yes |
Popular Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenecarboxylic acid 4-(3,4-dihydro-2H-1,5-benzodioxe…
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CAS Numbers: 952183-13-0 , N/A
4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-benzenecarboxylic acid
4-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)-benzenecarboxylicacid
4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)benzoic 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) | 3.42 | 0.45 | -52.89 | 0 | 4 | -1 | 59 | 269.276 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 217 - 220 | KeyOrganics |
| MP | 217-220° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.