| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 16 | No |
Popular Name: 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)-(2E)-propenoic acid 3-(2,2-Difluoro-1,3-benzodioxol-…
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CAS Numbers: 387350-55-2 , 721-13-1 , [721-13-1]
(2E)-3-(2,2-Difluoro-1,3-benzodioxol-5-yl)propenoic acid
(E)-3-(2,2-Difluoro-1,3-benzodioxol-5-yl)acrylic acid
(E)-3-(2,2-Difluoro-1,3-benzodioxol-5-yl)acrylic acid 95%
3-(2,2-Difluoro-1,3-benzodioxol-5-yl)(2E)
3-(2,2-Difluoro-1,3-benzodioxol-5-yl)(2E)propenoic acid
3-(2,2-difluoro-1,3-benzodioxol-5-yl)-(2e)-propenoicacid
| 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) | 2.43 | 1.26 | -45.55 | 0 | 4 | -1 | 59 | 227.142 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 176-179° | Matrix Scientific |
| Purity | 97% | Matrix Scientific |
| Warnings | Irritant | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.