| CAS Number | 76059-56-8 |
| Catalog Number | AG01EHV2 |
| Chemical Name | ethyl 2-(1,2,3,4-tetrahydroquinolin-4-yl)acetate |
| IUPAC Name | ethyl 2-(1,2,3,4-tetrahydroquinolin-4-yl)acetate |
| InChI | InChI=1S/C13H17NO2/c1-2-16-13(15)9-10-7-8-14-12-6-4-3-5-11(10)12/h3-6,10,14H,2,7-9H2,1H3 |
| InChI Key | JARZXCGUFDMBHN-UHFFFAOYSA-N |
| MDL Number | MFCD24596733 |
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.2796 |
| SMILES | CCOC(CC1C2=C(C=CC=C2)NCC1)=O |
| Synonyms | ETHYL 2-(1,2,3,4-TETRAHYDROQUINOLIN-4-YL)ACETATE,
76059-56-8,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.284g/mol |
| Monoisotopic Mass | 219.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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