| CAS Number | 51463-02-6 |
| Catalog Number | AG01BD75(AGN-PC-0WOR6G) |
| Chemical Name | 7-Methyl-3(2H)-isoquinolinone |
| IUPAC Name | 7-methyl-2H-isoquinolin-3-one |
| InChI | InChI=1S/C10H9NO/c1-7-2-3-8-5-10(12)11-6-9(8)4-7/h2-6H,1H3,(H,11,12) |
| InChI Key | BJPGLZPADUQUHB-UHFFFAOYSA-N |
| MDL Number | MFCD24560387 |
| Molecular Formula | C10H9NO |
| Molecular Weight | 159.1846 |
| SMILES | O=C1C=C2C=CC(C)=CC2=CN1 |
| Synonyms | 7-Methylisoquinolin-3-ol,
7-Methylisoquinolin-3(2H)-one,
7-methyl-2,3-dihydroisoquinolin-3-one,
51463-02-6,
3(2H)-Isoquinolinone, 7-methyl-,
7-methyl-2H-3-isoquinolone,
3-Hydroxy-7-methylisoquinoline,
BJPGLZPADUQUHB-UHFFFAOYSA-N,
ZINC96300672,
AKOS026741547,
NE61260,
Z2327039876,
N/A,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.188g/mol |
| Monoisotopic Mass | 159.068g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number