| CAS Number | 1038300-16-1 |
| Catalog Number | AG019X2I |
| Chemical Name | 1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid |
| IUPAC Name | 1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid |
| InChI | InChI=1S/C10H11N3O4/c1-11-6(9(15)16)4-5-7(11)12(2)10(17)13(3)8(5)14/h4H,1-3H3,(H,15,16) |
| InChI Key | CHYABWIHAJLDBS-UHFFFAOYSA-N |
| MDL Number | MFCD11203770 |
| Molecular Formula | C10H11N3O4 |
| Molecular Weight | 237.212 |
| SMILES | CN1C2=C(C(N(C(N2C)=O)C)=O)C=C1C(O)=O |
| Synonyms | 1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid,
EN300-53859,
1038300-16-1,
AC1Q3XM5,
CTK7H1688,
ZINC20594312,
AKOS009285387,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.215g/mol |
| Monoisotopic Mass | 237.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number