| CAS Number | 1824080-62-7 |
| Catalog Number | AG01C99E |
| Chemical Name | 6-methylisoquinoline-8-carboxylic acid |
| IUPAC Name | 6-methylisoquinoline-8-carboxylic acid |
| InChI | InChI=1S/C11H9NO2/c1-7-4-8-2-3-12-6-10(8)9(5-7)11(13)14/h2-6H,1H3,(H,13,14) |
| InChI Key | REWGSIGTZUWTBP-UHFFFAOYSA-N |
| MDL Number | MFCD22371037 |
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.1947 |
| SMILES | CC1=CC2=C(C=NC=C2)C(C(O)=O)=C1 |
| Synonyms | 6-methylisoquinoline-8-carboxylic acid,
1824080-62-7,
AKOS034087302,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.198g/mol |
| Monoisotopic Mass | 187.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number