| CAS Number | 1820683-14-4 |
| Catalog Number | AG00I0SO(AGN-PC-0WR738) |
| Chemical Name | Methyl 2-(pyrimidin-5-yl)acetate |
| IUPAC Name | methyl 2-pyrimidin-5-ylacetate |
| InChI | InChI=1S/C7H8N2O2/c1-11-7(10)2-6-3-8-5-9-4-6/h3-5H,2H2,1H3 |
| InChI Key | KNCQCFXYHUPWFN-UHFFFAOYSA-N |
| MDL Number | MFCD27578509 |
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.1506 |
| SMILES | N1=CN=CC(=C1)CC(=O)OC |
| Synonyms | METHYL 2-(PYRIMIDIN-5-YL)ACETATE,
1820683-14-4,
SCHEMBL18286247,
ZINC97756950,
AKOS033785289,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.153g/mol |
| Monoisotopic Mass | 152.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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