| CAS Number | 62948-75-8 |
| Catalog Number | AG00EDOH(AGN-PC-0T6L4N) |
| Chemical Name | Uric acid-15N2 |
| IUPAC Name | 7,9-dihydro-3H-purine-2,6,8-trione |
| InChI | InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)/i8+1,9+1 |
| InChI Key | LEHOTFFKMJEONL-IOOOXAEESA-N |
| MDL Number | MFCD00145511 |
| Molecular Formula | C5H4N4O3 |
| Molecular Weight | 170.0971 |
| SMILES | O=C([15NH]2)[15NH]C1=C(NC(N1)=O)C2=O |
| Synonyms | 62948-75-8,
SCHEMBL1331321,
DTXSID40583988,
URIC ACID (1,3-15N2),
Uric acid-1,3-15N2, 98 atom % 15N,
(1,3-~15~N_2_)-7,9-Dihydro-1H-purine-2,6,8(3H)-trione,
URICACID,
Uric acid-1,3-15N2,
7,9-dihydro-3H-purine-2,6,8-trione,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 2 |
| Molecular Weight | 170.098g/mol |
| Monoisotopic Mass | 170.022g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 99.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
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Certificate of Analysis
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