| CAS Number | 1955514-89-2 |
| Catalog Number | AG01C49Q |
| Chemical Name | Ethyl 2-(4-propoxypyrimidin-2-yl)acetate |
| IUPAC Name | ethyl 2-(4-propoxypyrimidin-2-yl)acetate |
| InChI | InChI=1S/C11H16N2O3/c1-3-7-16-10-5-6-12-9(13-10)8-11(14)15-4-2/h5-6H,3-4,7-8H2,1-2H3 |
| InChI Key | SFVXSKSNLKAKNF-UHFFFAOYSA-N |
| MDL Number | MFCD29991305 |
| Molecular Formula | C11H16N2O3 |
| Molecular Weight | 224.2563 |
| SMILES | CCCOC1=NC(CC(OCC)=O)=NC=C1 |
| Synonyms | ethyl 2-(4-propoxypyrimidin-2-yl)acetate,
1955514-89-2,
ZINC390822201,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.26g/mol |
| Monoisotopic Mass | 224.116g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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