450394-89-5
| Name | 3-(5,6-DIMETHYL-4-OXO-4H-THIENO[2,3-D]PYRIMIDIN-3-YL)-PROPIONIC ACID |
| CAS | 450394-89-5 |
| Molecular Formula | C11H12N2O3S |
| MDL Number | MFCD02960613 |
| Molecular Weight | 252.29 |
| MOL File | 450394-89-5.mol |
Chemical Properties
| Boiling point | 511.7±60.0 °C(Predicted) |
| density | 1.45±0.1 g/cm3(Predicted) |
| form | solid |
| pka | 4.32±0.10(Predicted) |
| InChI | 1S/C11H12N2O3S/c1-6-7(2)17-10-9(6)11(16)13(5-12-10)4-3-8(14)15/h5H,3-4H2,1-2H3,(H,14,15) |
| InChIKey | KQLWZQHFEVJYSV-UHFFFAOYSA-N |
| SMILES | O=C1C2=C(SC(C)=C2C)N=CN1CCC(O)=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P280-P305+P351+P338 |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |