| CAS Number | 77168-76-4 |
| Catalog Number | AG00ICT2(AGN-PC-0WR24A) |
| Chemical Name | 3-Carbamoyl-6-oxo-1,6-dihydropyrazine-2-carboxylic acid |
| IUPAC Name | 3-carbamoyl-6-oxo-1H-pyrazine-2-carboxylic acid |
| InChI | InChI=1S/C6H5N3O4/c7-5(11)3-4(6(12)13)9-2(10)1-8-3/h1H,(H2,7,11)(H,9,10)(H,12,13) |
| InChI Key | DAOFEKDZTJAXDB-UHFFFAOYSA-N |
| MDL Number | MFCD27998225 |
| Molecular Formula | C6H5N3O4 |
| Molecular Weight | 183.1216 |
| SMILES | OC(=O)c1[nH]c(=O)cnc1C(=O)N |
| Synonyms | 3-Carbamoyl-6-hydroxypyrazine-2-carboxylic acid,
77168-76-4,
MFCD27998225,
AKOS022641311,
AKOS027254996,
CS-0062202,
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| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.123g/mol |
| Monoisotopic Mass | 183.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
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Certificate of Analysis
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