| CAS Number | 56787-53-2 |
| Catalog Number | AG019MN5(AGN-PC-0WO8LT) |
| Chemical Name | 2-(3-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid |
| IUPAC Name | 2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetic acid |
| InChI | InChI=1S/C7H8N2O4/c1-8-5(10)2-3-9(7(8)13)4-6(11)12/h2-3H,4H2,1H3,(H,11,12) |
| InChI Key | JALZAYSDFUFSIM-UHFFFAOYSA-N |
| MDL Number | MFCD09046965 |
| Molecular Formula | C7H8N2O4 |
| Molecular Weight | 184.1494 |
| SMILES | CN1C(=O)N(CC(O)=O)C=CC1=O |
| Synonyms | 2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid,
56787-53-2,
(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid,
AC1Q3XQ1,
SCHEMBL11711947,
CTK7J4987,
ZINC20283816,
AKOS000130684,
MCULE-5793922767,
NE33323,
EN300-36690,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.151g/mol |
| Monoisotopic Mass | 184.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number