| CAS Number | 37804-34-5 |
| Catalog Number | AG019TFX(AGN-PC-05OVOK) |
| Chemical Name | 2,4-dioxo-3-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid |
| IUPAC Name | 2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C11H8N2O4/c14-9-8(10(15)16)6-12-11(17)13(9)7-4-2-1-3-5-7/h1-6H,(H,12,17)(H,15,16) |
| InChI Key | XPJCKTHELWCTTN-UHFFFAOYSA-N |
| MDL Number | MFCD16652661 |
| Molecular Formula | C11H8N2O4 |
| Molecular Weight | 232.1922 |
| SMILES | OC(C1C(=O)N(C2=CC=CC=C2)C(=O)NC=1)=O |
| Synonyms | 2,4-dioxo-3-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid,
37804-34-5,
ZINC26420332,
AKOS005207963,
MCULE-8461255693,
L-4739,
2,6-dioxo-1-phenyl-3H-pyrimidine-5-carboxylic acid,
F1967-0264,
Z1696824079,
2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxylic acid,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.195g/mol |
| Monoisotopic Mass | 232.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number