| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 16 | No |
Popular Name: 3-(1,3-benzodioxol-5-yl)-2-cyanoacrylic acid 3-(1,3-benzodioxol-5-yl)-2-cyano…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 49711-55-9 , 51066-70-7 , [49711-55-9]
2-Propenoic acid,3-(1,3-benzodioxol-5-yl)-2-cyano-, (E)- (9CI)
3-(1,3-benzodioxol-5-yl)-2-cyanoacrylicacid
3-(1,3-Benzodioxol-5yl)-2-cyanoacrylic acid
3-(2H-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoic acid
3-(Benzo[d][1,3]dioxol-5-yl)-2-cyanoacrylic 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) | 1.52 | 4.14 | -45.59 | 0 | 5 | -1 | 82 | 216.172 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.700000000000000e+002 | KeyOrganics KeyOrganics |
| MP | 170° | Matrix Scientific |
| MP | 205 - 207 | Enamine Building Blocks |
| MP | 205...207 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
