| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 13 | Yes |
Popular Name: 2,3-dihydro-1,4-benzodioxine-6-carboxylic acid 2,3-dihydro-1,4-benzodioxine-6-c…
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CAS Numbers: 4442-54-0 , [4442-54-0]
1,4-Benzodioxane-6-carboxylic acid
1,4-Benzodioxane-6-carboxylicAcid
2,3-Dihydro-1,4-benzodioxin-6-ylcarboxylic acid
2,3-Dihydro-benzo[1,4]dioxine-6-car; boxylic acid
2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid
2,3-Dihydrobenzo[b][1,4]dioxine-6-carboxylic acid
3,4-(Ethylenedioxy)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) | 1.36 | 4.2 | -49.43 | 0 | 4 | -1 | 59 | 179.151 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 119 - 121 | Enamine Building Blocks |
| MP | 119...121 | Enamine Building Blocks |
| Mp [°C] | 133 - 137 | Acros Organics |
| MP | 133-136° | Matrix Scientific |
| MP | 134-138° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.