5-(3-oxobut-1-enyl)-1H-pyrimidine-2,4-dione
5-(3-oxobut-1-enyl)-1H-pyrimidine-2,4-dione
Also Known As: NCI60_001740|5-(3-oxobut-1-enyl)-1H-pyrimidine-2,4-dione|5-[(E)-3-oxobut-1-enyl]-1H-pyrimidine-2,4-dione
CAS: 57412-57-4
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.0535 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.0535 |
| Monoisotopic Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 57412-57-4 |
|---|---|
| SMILES | CC(=O)C=CC1=CNC(=O)NC1=O |
| InChIKey | ROAAEOJUCDTGGM-UHFFFAOYSA-N |
Product Overview
5-(3-oxobut-1-enyl)-1H-pyrimidine-2,4-dione (CAS 57412-57-4), with molecular formula C8H8N2O3 and molecular weight 180.0535 g/mol. IUPAC: 5-(3-oxobut-1-enyl)-1H-pyrimidine-2,4-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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5-(3-oxobut-1-enyl)-1H-pyrimidine-2,4-dione is a custom synthesis product. We offer services from milligram to kilogram scale.
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