| CAS Number | 1414864-13-3 |
| Catalog Number | AG01FOIN(AGN-PC-0WCLD3) |
| Chemical Name | 2H,3H-[1,4]dioxino[2,3-c]pyridine-5-carbaldehyde |
| IUPAC Name | 2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-5-carbaldehyde |
| InChI | InChI=1S/C8H7NO3/c10-5-6-8-7(1-2-9-6)11-3-4-12-8/h1-2,5H,3-4H2 |
| InChI Key | GLSFTEHWRXUJBK-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
| Molecular Weight | 165.1461 |
| SMILES | |
| Synonyms | 1414864-13-3,
MFCD22887432,
AKOS030233515,
ZINC238698336,
2,3-Dihydro-[1,4]dioxino-[2,3-c]pyridine-5-carbaldehyde,
2,3-Dihydro-[1,4]dioxino[2,3-c]pyridine-5-carbaldehyde,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.148g/mol |
| Monoisotopic Mass | 165.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number