| CAS Number | 68152-20-5 |
| Catalog Number | AG00FRW4 |
| Chemical Name | 2-(2-hydroxyethyl)-1,2-dihydroisoquinolin-1-one |
| IUPAC Name | 2-(2-hydroxyethyl)isoquinolin-1-one |
| InChI | InChI=1S/C11H11NO2/c13-8-7-12-6-5-9-3-1-2-4-10(9)11(12)14/h1-6,13H,7-8H2 |
| InChI Key | NLUJNANYIFGPSK-UHFFFAOYSA-N |
| MDL Number | MFCD18804299 |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.2105 |
| SMILES | OCCN1C(C2=CC=CC=C2C=C1)=O |
| Synonyms | 68152-20-5,
2-(2-hydroxyethyl)isoquinolin-1(2H)-one,
SCHEMBL13046538,
ZINC39121538,
AKOS017396127,
1(2h)-isoquinolinone,2-(2-hydroxyethyl)-,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.214g/mol |
| Monoisotopic Mass | 189.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number