| CAS Number | 53944-31-3 |
| Catalog Number | AG00DDC2(AGN-PC-0WH4EM) |
| Chemical Name | 7-Ethyl-5H-chromeno[2,3-b]pyridin-5-one |
| IUPAC Name | 7-ethylchromeno[2,3-b]pyridin-5-one |
| InChI | InChI=1S/C14H11NO2/c1-2-9-5-6-12-11(8-9)13(16)10-4-3-7-15-14(10)17-12/h3-8H,2H2,1H3 |
| InChI Key | QJEREWAEAHLFGE-UHFFFAOYSA-N |
| Molecular Formula | C14H11NO2 |
| Molecular Weight | 225.2426 |
| SMILES | O=C1C2=CC(CC)=CC=C2OC3=NC=CC=C31 |
| Synonyms | 53944-31-3,
Pranoprofen Impurity 1,
7-Ethyl-5H-chromeno[2,3-b]pyridin-5-one,
SCHEMBL11808296,
QJEREWAEAHLFGE-UHFFFAOYSA-N,
AKOS027446580,
7-ethyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine,
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| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.247g/mol |
| Monoisotopic Mass | 225.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number