| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 18 | Yes |
Popular Name: 4-Biphenyl-[1,3]dioxol-5-yl-carboxylic acid 4-Biphenyl-[1,3]dioxol-5-yl-carb…
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CAS Numbers: 193151-97-2 , [193151-97-2]
4-(1,3-benzodioxol-5-yl)benzenecarboxylic acid
4-(1,3-benzodioxol-5-yl)benzenecarboxylicacid
4-(3,4-Methylenedioxyphenyl)benzoic acid
4-(Benzo[d][1,3]dioxol-5-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) | 3.53 | 0.47 | -52.46 | 0 | 4 | -1 | 58 | 241.222 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 276 - 278 | KeyOrganics |
| MP | 276-278° | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.