| CAS Number | 1379181-19-7 |
| Catalog Number | AG00HV4B(AGN-PC-0WG49F) |
| Chemical Name | 1-(Carboxymethyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-(carboxymethyl)-2-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H7NO5/c10-6(11)4-9-3-1-2-5(7(9)12)8(13)14/h1-3H,4H2,(H,10,11)(H,13,14) |
| InChI Key | SZMOLGWQLGATQZ-UHFFFAOYSA-N |
| MDL Number | MFCD20646967 |
| Molecular Formula | C8H7NO5 |
| Molecular Weight | 197.1449 |
| SMILES | OC(CN1C(=O)C(C(O)=O)=CC=C1)=O |
| Synonyms | 1-(Carboxymethyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
1379181-19-7,
MFCD20646967,
ZINC238629403,
FCH1227032,
TZ001065,
CS-0039045,
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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 | 197.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.146g/mol |
| Monoisotopic Mass | 197.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number