| CAS Number | 27152-09-6 |
| Catalog Number | AG01AAY2(AGN-PC-0WOCRF) |
| Chemical Name | 2-OXO-1H,2H,5H,7H,8H-PYRANO[4,3-B]PYRIDINE-3-CARBONITRILE |
| IUPAC Name | 2-oxo-1,5,7,8-tetrahydropyrano[4,3-b]pyridine-3-carbonitrile |
| InChI | InChI=1S/C9H8N2O2/c10-4-6-3-7-5-13-2-1-8(7)11-9(6)12/h3H,1-2,5H2,(H,11,12) |
| InChI Key | ANUXNMLPHPOUMD-UHFFFAOYSA-N |
| MDL Number | MFCD16070469 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | O=C1C(=CC2=C(N1)CCOC2)C#N |
| Synonyms | 2-oxo-1H,2H,5H,7H,8H-pyrano[4,3-b]pyridine-3-carbonitrile,
27152-09-6,
AC1Q6GRN,
SCHEMBL845917,
ANUXNMLPHPOUMD-UHFFFAOYSA-N,
ZINC43404473,
AKOS008148227,
AKOS024057222,
MCULE-2516561091,
NE49591,
EN300-69889,
2-oxo-1,5,7,8-tetrahydro-2H-pyrano[4,3-b]pyridine-3-carbonitrile,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number