| CAS Number | 127527-24-6 |
| Catalog Number | AG000X5H(AGN-PC-001IUN) |
| Chemical Name | 2,5-PYRIMIDINEDICARBOXYLIC ACID |
| IUPAC Name | pyrimidine-2,5-dicarboxylic acid |
| InChI | InChI=1S/C6H4N2O4/c9-5(10)3-1-7-4(6(11)12)8-2-3/h1-2H,(H,9,10)(H,11,12) |
| InChI Key | PIVRLVQKXVLRCA-UHFFFAOYSA-N |
| MDL Number | MFCD16988201 |
| Molecular Formula | C6H4N2O4 |
| Molecular Weight | 168.1070 |
| SMILES | O=C(C1=NC=C(C(O)=O)C=N1)O |
| Synonyms | pyrimidine-2,5-dicarboxylic acid,
127527-24-6,
2,5-PYRIMIDINEDICARBOXYLIC ACID,
SCHEMBL3705899,
CTK4B5636,
DTXSID20560691,
MFCD16988201,
ZINC34303198,
AKOS027324408,
CS-W000477,
AS-48263,
2,5-Pyrimidinedicarboxylic acid (9CI),
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| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.108g/mol |
| Monoisotopic Mass | 168.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number