| CAS Number | 115600-17-4 |
| Catalog Number | AG0095NH(AGN-PC-0NYSC2) |
| Chemical Name | 2,5-PyriMidinedicarboxylic acid, 5-Methyl ester |
| IUPAC Name | dimethyl pyrimidine-2,5-dicarboxylate |
| InChI | InChI=1S/C8H8N2O4/c1-13-7(11)5-3-9-6(10-4-5)8(12)14-2/h3-4H,1-2H3 |
| InChI Key | BBRSRYSYHOLQRT-UHFFFAOYSA-N |
| MDL Number | MFCD26127433 |
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.1601 |
| SMILES | COC(=O)c1cnc(C(=O)OC)nc1 |
| Synonyms | Dimethyl pyrimidine-2,5-dicarboxylate,
115600-17-4,
2,5-Pyrimidinedicarboxylic acid, 2,5-dimethyl ester,
SCHEMBL14782142,
BBRSRYSYHOLQRT-UHFFFAOYSA-N,
MFCD26127433,
ZINC98073050,
AKOS027324489,
2,5-dimethylpyrimidine-2,5-dicarboxylate,
AS-48464,
SC-97628,
FT-0699651,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.162g/mol |
| Monoisotopic Mass | 196.048g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number