| CAS Number | 156496-39-8 |
| Catalog Number | AG01BJFO |
| Chemical Name | Methyl 2-(2-oxo-1,2-dihydroquinolin-3-yl)acetate |
| IUPAC Name | methyl 2-(2-oxo-1H-quinolin-3-yl)acetate |
| InChI | InChI=1S/C12H11NO3/c1-16-11(14)7-9-6-8-4-2-3-5-10(8)13-12(9)15/h2-6H,7H2,1H3,(H,13,15) |
| InChI Key | DKAAVPVRUXLVJJ-UHFFFAOYSA-N |
| MDL Number | MFCD11040311 |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.2206 |
| SMILES | O=C1NC2=CC=CC=C2C=C1CC(=O)OC |
| Synonyms | 156496-39-8,
Methyl 2-(2-oxo-1,2-dihydroquinolin-3-yl)acetate,
SCHEMBL8306652,
Methyl 2-hydroxyquinoline-3-acetate,
MFCD11040311,
ZINC34413544,
AKOS034303366,
AK689311,
DS-20226,
methyl 2-(2-hydroxyquinolin-3-yl)acetate,
2-Oxo-1,2-dihydroquinoline-3-acetic acid methyl ester,
(2-Oxo-1,2-dihydro-quinolin-3-yl)-acetic acid methyl ester,
Methyl 2-oxo-1,2-dihydroquinoline-3-acetate,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.224g/mol |
| Monoisotopic Mass | 217.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number