| CAS Number | 71083-53-9 |
| Catalog Number | AG00FGLR(AGN-PC-0WQXVZ) |
| Chemical Name | 8-Methoxy-3-quinolinecarbonitrile |
| IUPAC Name | 8-methoxyquinoline-3-carbonitrile |
| InChI | InChI=1S/C11H8N2O/c1-14-10-4-2-3-9-5-8(6-12)7-13-11(9)10/h2-5,7H,1H3 |
| InChI Key | OBYZRPNNWGILDV-UHFFFAOYSA-N |
| MDL Number | MFCD19440753 |
| Molecular Formula | C11H8N2O |
| Molecular Weight | 184.1940 |
| SMILES | COC=1C=CC=C2C=C(C=NC12)C#N |
| Synonyms | 8-methoxyquinoline-3-carbonitrile,
71083-53-9,
8-Methoxy-3-quinolinecarbonitrile,
SCHEMBL2204234,
3-Quinolinecarbonitrile, 8-methoxy-,
MFCD19440753,
ZINC83275975,
AS-42855,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.198g/mol |
| Monoisotopic Mass | 184.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number