| CAS Number | 42792-98-3 |
| Catalog Number | AG00CXIM(AGN-PC-0WBQ66) |
| Chemical Name | 1(2H)-Isoquinolinone,5-hydroxy-2-methyl-(9CI) |
| IUPAC Name | 5-hydroxy-2-methylisoquinolin-1-one |
| InChI | InChI=1S/C10H9NO2/c1-11-6-5-7-8(10(11)13)3-2-4-9(7)12/h2-6,12H,1H3 |
| InChI Key | GFKCIDMEXINYQD-UHFFFAOYSA-N |
| MDL Number | MFCD11986505 |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.1840 |
| SMILES | OC1=C2C=CN(C(C2=CC=C1)=O)C |
| Synonyms | 42792-98-3,
5-hydroxy-2-methylisoquinolin-1(2H)-one,
F2135-0733,
1(2H)-Isoquinolinone, 5-hydroxy-2-methyl-,
SCHEMBL8268239,
5-hydroxy-2-methylisoquinolin-1-one,
ZINC26421393,
AKOS005208557,
MCULE-1609552272,
1(2h)-isoquinolinone,5-hydroxy-2-methyl-,
L-4095,
5-hydroxy-2-methyl-1,2-dihydroisoquinolin-1-one,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.187g/mol |
| Monoisotopic Mass | 175.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number