| CAS Number | 1989671-51-3 |
| Catalog Number | AG01B543 |
| Chemical Name | 1-Methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
| IUPAC Name | 1-methyl-6-oxopyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C6H6N2O3/c1-8-3-7-4(6(10)11)2-5(8)9/h2-3H,1H3,(H,10,11) |
| InChI Key | ONYSYALUMOGBKJ-UHFFFAOYSA-N |
| MDL Number | MFCD30342691 |
| Molecular Formula | C6H6N2O3 |
| Molecular Weight | 154.1234 |
| SMILES | CN1C(=O)C=C(C(O)=O)N=C1 |
| Synonyms | 1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid,
1989671-51-3,
SCHEMBL16742992,
AKOS033945469,
ZINC224363104,
Z2568751754,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.125g/mol |
| Monoisotopic Mass | 154.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number