| CAS Number | 13669-58-4 |
| Catalog Number | AG00HUOL(AGN-PC-02L23Y) |
| Chemical Name | 6-Methoxyquinoline-3-carbonitrile |
| IUPAC Name | 6-methoxyquinoline-3-carbonitrile |
| InChI | InChI=1S/C11H8N2O/c1-14-10-2-3-11-9(5-10)4-8(6-12)7-13-11/h2-5,7H,1H3 |
| InChI Key | IWDUVIPVMFJQJF-UHFFFAOYSA-N |
| MDL Number | MFCD22628175 |
| Molecular Formula | C11H8N2O |
| Molecular Weight | 184.1940 |
| SMILES | N#CC1=CC2=CC(OC)=CC=C2N=C1 |
| Synonyms | 6-METHOXYQUINOLINE-3-CARBONITRILE,
13669-58-4,
3-Quinolinecarbonitrile, 6-methoxy-,
SCHEMBL6990269,
6-methoxy-3-quinolinecarbonitrile,
IWDUVIPVMFJQJF-UHFFFAOYSA-N,
MFCD22628175,
AS-42843,
|
| 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 | 1.5 |
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Certificate of Analysis
Lot Number