| CAS Number | 22080-18-8 |
| Catalog Number | AG00BHFQ(AGN-PC-00MVHD) |
| Chemical Name | 4-Hydroxyisoquinoline-3-carboxylic acid |
| IUPAC Name | 4-hydroxyisoquinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H7NO3/c12-9-7-4-2-1-3-6(7)5-11-8(9)10(13)14/h1-5,12H,(H,13,14) |
| InChI Key | SDANCITUOADILO-UHFFFAOYSA-N |
| MDL Number | MFCD18253791 |
| Molecular Formula | C10H7NO3 |
| Molecular Weight | 189.1675 |
| SMILES | O=C(C1=C(O)C2=C(C=N1)C=CC=C2)O |
| Synonyms | 4-hydroxyisoquinoline-3-carboxylic acid,
22080-18-8,
3-Isoquinolinecarboxylic acid, 4-hydroxy-,
SCHEMBL8150746,
ZINC34077869,
AKOS022642967,
4-Hydroxy-3-isoquinolinecarboxylic acid,
Z2236664607,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.17g/mol |
| Monoisotopic Mass | 189.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number