| CAS Number | 1248288-05-2 |
| Catalog Number | AG01BU66 |
| Chemical Name | 2-Methyl-2-(pyrimidin-5-yl)propanoic acid |
| IUPAC Name | 2-methyl-2-pyrimidin-5-ylpropanoic acid |
| InChI | InChI=1S/C8H10N2O2/c1-8(2,7(11)12)6-3-9-5-10-4-6/h3-5H,1-2H3,(H,11,12) |
| InChI Key | LIUJZIMCBYIJIX-UHFFFAOYSA-N |
| MDL Number | MFCD16778961 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | CC(C(=O)O)(C)C=1C=NC=NC1 |
| Synonyms | 2-methyl-2-(pyrimidin-5-yl)propanoic acid,
1248288-05-2,
SCHEMBL19779423,
AKOS011779775,
F8883-0916,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number