| CAS Number | 1014107-39-1 |
| Catalog Number | AG01ARU7 |
| Chemical Name | ethyl 2-[(1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]propanoate |
| IUPAC Name | ethyl 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]propanoate |
| InChI | InChI=1S/C14H15NO4/c1-3-18-14(17)9(2)19-12-6-4-5-11-10(12)7-8-15-13(11)16/h4-9H,3H2,1-2H3,(H,15,16) |
| InChI Key | OFKNWTOGWPUNOR-UHFFFAOYSA-N |
| MDL Number | MFCD11986536 |
| Molecular Formula | C14H15NO4 |
| Molecular Weight | 261.2732 |
| SMILES | O=C1NC=CC2=C(C=CC=C12)OC(C(=O)OCC)C |
| Synonyms | 1014107-39-1,
ethyl 2-[(1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]propanoate,
ethyl 2-[(1-oxo-2H-isoquinolin-5-yl)oxy]propanoate,
AKOS005207422,
MCULE-2328568032,
SR-03000000043-1,
F2135-0801,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.277g/mol |
| Monoisotopic Mass | 261.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number