| CAS Number | 1421600-97-6 |
| Catalog Number | AG01C467 |
| Chemical Name | 5-Methoxyisoquinoline-8-carboxylic acid |
| IUPAC Name | 5-methoxyisoquinoline-8-carboxylic acid |
| InChI | InChI=1S/C11H9NO3/c1-15-10-3-2-8(11(13)14)9-6-12-5-4-7(9)10/h2-6H,1H3,(H,13,14) |
| InChI Key | XOAJKBNJTWZKST-UHFFFAOYSA-N |
| MDL Number | MFCD22100101 |
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.1941 |
| SMILES | COC1=C2C=CN=CC2=C(C=C1)C(=O)O |
| Synonyms | 5-methoxyisoquinoline-8-carboxylic acid,
1421600-97-6,
8-Isoquinolinecarboxylic acid, 5-methoxy-,
ZINC82769934,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.197g/mol |
| Monoisotopic Mass | 203.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number