| CAS Number | 39513-47-8 |
| Catalog Number | AG01BEIL(AGN-PC-0RJY5E) |
| Chemical Name | Ethyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| IUPAC Name | ethyl 1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylate |
| InChI | InChI=1S/C9H12N2O4/c1-4-15-8(13)6-5-10(2)9(14)11(3)7(6)12/h5H,4H2,1-3H3 |
| InChI Key | NBPWUCASXSGJQX-UHFFFAOYSA-N |
| MDL Number | MFCD28064065 |
| Molecular Formula | C9H12N2O4 |
| Molecular Weight | 212.2026 |
| SMILES | CCOC(=O)C1=CN(C(=O)N(C1=O)C)C |
| Synonyms | ethyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate,
39513-47-8,
ZINC98095696,
AKOS033172006,
MCULE-6679410459,
Z1221564939,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.205g/mol |
| Monoisotopic Mass | 212.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number