| CAS Number | 242474-54-0 |
| Catalog Number | AG00C1V3(AGN-PC-0KZCHM) |
| Chemical Name | 2-methyl-5H-chromeno[3,4-c]pyridine-1-carbonitrile |
| IUPAC Name | 2-methyl-5H-chromeno[3,4-c]pyridine-1-carbonitrile |
| InChI | InChI=1S/C14H10N2O/c1-9-12(6-15)14-10(7-16-9)8-17-13-5-3-2-4-11(13)14/h2-5,7H,8H2,1H3 |
| InChI Key | DBSGFGKGZLPGTF-UHFFFAOYSA-N |
| MDL Number | MFCD01651677 |
| Molecular Formula | C14H10N2O |
| Molecular Weight | 222.2420 |
| SMILES | C12=C(COC3C=CC=CC1=3)C=NC(C)=C2C#N |
| Synonyms | 2-methyl-5H-chromeno[3,4-c]pyridine-1-carbonitrile,
242474-54-0,
AC1MVPG0,
DTXSID30395739,
ZINC5587299,
ZX-CM008756,
MFCD01651677,
AKOS022185609,
AJ-54355,
W-8486,
2-Methyl-5H-[1]benzopyrano[3,4-c]pyridine-1-carbonitrile,
2-methyl-5H-chromeno[3,4-c]pyridine-1-carbonitrile(SALTDATA,
CID3736573,
CID 3736573,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.247g/mol |
| Monoisotopic Mass | 222.079g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number