| CAS Number | 73763-86-7 |
| Catalog Number | AG01C2KR(AGN-PC-0OHC08) |
| Chemical Name | 3-(Methoxycarbonyl)pyrazine-2-carboxylic acid |
| IUPAC Name | 3-methoxycarbonylpyrazine-2-carboxylic acid |
| InChI | InChI=1S/C7H6N2O4/c1-13-7(12)5-4(6(10)11)8-2-3-9-5/h2-3H,1H3,(H,10,11) |
| InChI Key | ZKBPWGREDZWROM-UHFFFAOYSA-N |
| MDL Number | MFCD00764018 |
| Molecular Formula | C7H6N2O4 |
| Molecular Weight | 182.1335 |
| SMILES | COC(=O)C=1C(=NC=CN1)C(=O)O |
| Synonyms | 3-(methoxycarbonyl)pyrazine-2-carboxylic acid,
73763-86-7,
2,3-Pyrazinedicarboxylic acid, 2-methyl ester,
SCHEMBL361255,
ZKBPWGREDZWROM-UHFFFAOYSA-N,
BBL036596,
STL490919,
ZINC26506328,
AKOS006274793,
pyrazine-2,3-dicarboxylic acid methyl ester,
Z2293608377,
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| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.135g/mol |
| Monoisotopic Mass | 182.033g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
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