| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 11 | No |
Popular Name: (E)-3-(Pyridin-3-yl)acrylic acid (E)-3-(Pyridin-3-yl)acrylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1126-74-5 , 19337-97-4 , [1126-74-5] , [19337-97-4]
(2E)-3-(pyridin-3-yl)prop-2-enoic acid
(2E)-3-pyridin-3-ylacrylic acid
(E)-3-(Pyridin-3-yl)acrylic acid 98%
(E)-3-(Pyridin-3-yl)acrylicacid
2-propenoic acid, 3-(3-pyridinyl)-
trans-3-(3'-Pyridyl)acrylic acid
trans-3-(3-Pyridyl)acrylic 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) | 0.49 | 4.58 | -48.23 | 0 | 3 | -1 | 53 | 148.141 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 5.04 | -61.2 | 1 | 3 | 0 | 54 | 149.149 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 232 - 235 | Enamine Building Blocks |
| Melting_Point | 232-235? | Alfa-Aesar |
| Melting_Point | 232-235° | Alfa-Aesar |
| MP | 232...235 | Enamine Building Blocks |
| MP | 234 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.