8-Ethylquinoline 1-Oxide - CAS 1246242-18-1
Catalog: |
BB074056 |
Product Name: |
8-Ethylquinoline 1-Oxide |
CAS: |
1246242-18-1 |
Synonyms: |
8-Ethylquinoline 1-oxide; 8-ethyl-1-oxidoquinolin-1-ium; 8-Ethylquinoline N-oxide, 97% |
IUPAC Name: | 8-ethyl-1-oxidoquinolin-1-ium |
Molecular Weight: | 173.21 |
Molecular Formula: | C11H11NO |
Canonical SMILES: | CCC1=CC=CC2=C1[N+](=CC=C2)[O-] |
InChI: | InChI=1S/C11H11NO/c1-2-9-5-3-6-10-7-4-8-12(13)11(9)10/h3-8H,2H2,1H3 |
InChI Key: | LZEBWZDDNNWJJK-UHFFFAOYSA-N |
References: | Burkhard, J.A., (LOC), ETH Zurich., (2011). |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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