| CAS Number | 99275-67-9 |
| Catalog Number | AG01BI9B(AGN-PC-0ABUEY) |
| Chemical Name | 4-Hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxamide |
| IUPAC Name | 4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide |
| InChI | InChI=1S/C10H8N2O3/c11-9(14)7-8(13)5-3-1-2-4-6(5)10(15)12-7/h1-4,13H,(H2,11,14)(H,12,15) |
| InChI Key | IBXVQOAFBNLVDH-UHFFFAOYSA-N |
| MDL Number | MFCD24563053 |
| Molecular Formula | C10H8N2O3 |
| Molecular Weight | 204.1821 |
| SMILES | NC(=O)c1[nH]c(=O)c2c(c1O)cccc2 |
| Synonyms | 4-hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxamide,
99275-67-9,
SCHEMBL6800226,
AKOS034038110,
ZINC165278972,
Z2805897420,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.053492g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.18g/mol |
| Monoisotopic Mass | 204.053492g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number