| CAS Number | 153457-37-5 |
| Catalog Number | AG01FPTR(AGN-PC-3H5P5E) |
| Chemical Name | 1,2-dihydro-4-hydroxy-2-oxo-1,8-Naphthyridine-3-carboxylic acid |
| IUPAC Name | 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H6N2O4/c12-6-4-2-1-3-10-7(4)11-8(13)5(6)9(14)15/h1-3H,(H,14,15)(H2,10,11,12,13) |
| InChI Key | YTRXTODSEMUSMB-UHFFFAOYSA-N |
| MDL Number | MFCD20526695 |
| Molecular Formula | C9H6N2O4 |
| Molecular Weight | 206.1549 |
| SMILES | O=C(O)C1=C(C2=CC=CN=C2NC1=O)O |
| Synonyms | 153457-37-5,
4-Hydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylic acid,
SCHEMBL3515033,
ZB1290,
AS-71518,
4-hydroxy-2-oxo-2,8-dihydro-1,8-naphthyridine-3-carboxylic acid,
2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid,
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| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.032757g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.15g/mol |
| Monoisotopic Mass | 206.032757g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 99.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number