isocrotonic acid
- Product Nameisocrotonic acid
- CAS503-64-0
- MFC4H6O2
- MW86.09
- EINECS207-973-2
- MOL File503-64-0.mol
Chemical Properties
| Melting point | 15° |
| Boiling point | bp5 55-56°; bp10 62-64°; bp760 168-169° |
| Density | d420 1.0267 |
| refractive index | nD14 1.4483; nD20 1.4450 |
| pka | 4.68±0.25(Predicted) |
| Henry's Law Constant | 1.5×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2- |
| InChIKey | LDHQCZJRKDOVOX-IHWYPQMZSA-N |
| SMILES | C(O)(=O)/C=C\C |
| LogP | 0.658 (est) |
