| CAS Number | 344325-94-6 |
| Catalog Number | AG00D4W1(AGN-PC-0WD8ME) |
| Chemical Name | 2-Pyrimidinecarboxylicacid,5-methoxy-(9CI) |
| IUPAC Name | 5-methoxypyrimidine-2-carboxylic acid |
| InChI | InChI=1S/C6H6N2O3/c1-11-4-2-7-5(6(9)10)8-3-4/h2-3H,1H3,(H,9,10) |
| InChI Key | WJCNQFLMFOMNJR-UHFFFAOYSA-N |
| MDL Number | MFCD13174853 |
| Molecular Formula | C6H6N2O3 |
| Molecular Weight | 154.1234 |
| SMILES | COC=1C=NC(=NC1)C(=O)O |
| Synonyms | 344325-94-6,
5-methoxypyrimidine-2-carboxylic acid,
2-PYRIMIDINECARBOXYLIC ACID, 5-METHOXY-,
SCHEMBL10328697,
DTXSID90504825,
5-methoxypyrimidine-2-carboxylicacid,
MFCD13174853,
ZINC39057710,
5-Methoxy-2-pyrimidinecarboxylic acid,
AKOS022635086,
SB12715,
AS-39667,
2-Pyrimidinecarboxylicacid,5-methoxy-(9CI),
CS-0036848,
Z2217033083,
2-Pyrimidinecarboxylic acid, 5-methoxy- (9CI),
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| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.125g/mol |
| Monoisotopic Mass | 154.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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