| CAS Number | 1018501-32-0 |
| Catalog Number | AG009034(AGN-PC-0WBQC7) |
| Chemical Name | 7-(2-Methoxyethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid |
| IUPAC Name | 7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid |
| InChI | InChI=1S/C12H15N3O5/c1-13-9-7(10(16)14(2)12(13)19)6-8(11(17)18)15(9)4-5-20-3/h6H,4-5H2,1-3H3,(H,17,18) |
| InChI Key | CCJXZCAXFMCTOO-UHFFFAOYSA-N |
| MDL Number | MFCD10007813 |
| Molecular Formula | C12H15N3O5 |
| Molecular Weight | 281.2646 |
| SMILES | COCCn1c(cc2c1n(C)c(=O)n(C)c2=O)C(O)=O |
| Synonyms | 1018501-32-0,
7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid,
MFCD10007813,
ZINC19943985,
AKOS015958506,
MCULE-2253447275,
F9995-1059,
7-(2-Methoxyethyl)-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 96%,
|
| Complexity | 441 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.268g/mol |
| Monoisotopic Mass | 281.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number