| CAS Number | 1337881-30-7 |
| Catalog Number | AG01BV02 |
| Chemical Name | 3-Hydroxyisoquinoline-8-carboxylic acid |
| IUPAC Name | 3-oxo-2H-isoquinoline-8-carboxylic acid |
| InChI | InChI=1S/C10H7NO3/c12-9-4-6-2-1-3-7(10(13)14)8(6)5-11-9/h1-5H,(H,11,12)(H,13,14) |
| InChI Key | UGMJQOZFACHZAO-UHFFFAOYSA-N |
| MDL Number | MFCD22380186 |
| Molecular Formula | C10H7NO3 |
| Molecular Weight | 189.1675 |
| SMILES | OC=1N=CC2=C(C=CC=C2C1)C(=O)O |
| Synonyms | 3-hydroxyisoquinoline-8-carboxylic acid,
1337881-30-7,
AKOS033971404,
ZINC238678398,
Z2671043960,
3-Hydroxy-8-isoquinolinecarboxylic acid,
|
| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.042593g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.17g/mol |
| Monoisotopic Mass | 189.042593g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number