| CAS Number | 29571-46-8 |
| Catalog Number | AG00BIF6(AGN-PC-0BU0WS) |
| Chemical Name | Ethyl 2-(2,4-dioxo-1,3-dihydropyrimidin-5-yl)acetate |
| IUPAC Name | ethyl 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetate |
| InChI | InChI=1S/C8H10N2O4/c1-2-14-6(11)3-5-4-9-8(13)10-7(5)12/h4H,2-3H2,1H3,(H2,9,10,12,13) |
| InChI Key | BTOLNVOZDUMQRF-UHFFFAOYSA-N |
| MDL Number | MFCD20727903 |
| Molecular Formula | C8H10N2O4 |
| Molecular Weight | 198.1760 |
| SMILES | CCOC(=O)Cc1c[nH]c(=O)[nH]c1=O |
| Synonyms | 29571-46-8,
Ethyl 2-(2,4-dioxo-1,3-dihydropyrimidin-5-yl)acetate,
SCHEMBL1525934,
(2,4-DIHYDROXY-PYRIMIDIN-5-YL)-ACETIC ACID ETHYL ESTER,
KM5549,
ZINC72207168,
AKOS026673647,
CJ-21677,
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| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.178g/mol |
| Monoisotopic Mass | 198.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
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Certificate of Analysis
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