| CAS Number | 100517-53-1 |
| Catalog Number | AG0096IR(AGN-PC-0WR29I) |
| Chemical Name | 3-Hydroxyquinoline-4-carbonitrile |
| IUPAC Name | 3-hydroxyquinoline-4-carbonitrile |
| InChI | InChI=1S/C10H6N2O/c11-5-8-7-3-1-2-4-9(7)12-6-10(8)13/h1-4,6,13H |
| InChI Key | HCVZROBIXCHBQQ-UHFFFAOYSA-N |
| MDL Number | MFCD18415946 |
| Molecular Formula | C10H6N2O |
| Molecular Weight | 170.1674 |
| SMILES | OC=1C=NC2=CC=CC=C2C1C#N |
| Synonyms | 3-Hydroxyquinoline-4-carbonitrile,
100517-53-1,
3-Hydroxy-quinoline-4-carbonitrile,
4-Cyano-3-hydroxyquinoline,
4-Quinolinecarbonitrile, 3-hydroxy-,
MFCD18415946,
ZINC95630941,
AKOS027253231,
FCH1150384,
OR42261,
PS-11559,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.171g/mol |
| Monoisotopic Mass | 170.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 56.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number