| CAS Number | 1421602-76-7 |
| Catalog Number | AG01A13B |
| Chemical Name | 3-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-5-yl)propanoic acid hydrochloride |
| IUPAC Name | 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C9H12N2O3.ClH/c1-5-7(3-4-8(12)13)6(2)11-9(14)10-5;/h3-4H2,1-2H3,(H,12,13)(H,10,11,14);1H |
| InChI Key | JDJJNJARYBJUBU-UHFFFAOYSA-N |
| MDL Number | MFCD22392153 |
| Molecular Formula | C9H13ClN2O3 |
| Molecular Weight | 232.6641 |
| SMILES | Cl.CC1C(CCC(O)=O)=C(C)NC(=O)N=1 |
| Synonyms | 3-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-5-yl)propanoic acid hydrochloride,
1421602-76-7,
AKOS026728416,
NE40742,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.664g/mol |
| Monoisotopic Mass | 232.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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