| CAS Number | 1246536-95-7 |
| Catalog Number | AG000MIC(AGN-PC-0WAH9Z) |
| Chemical Name | 2-Pyridinecarboxaldehyde, 5-ethoxy- |
| IUPAC Name | 5-ethoxypyridine-2-carbaldehyde |
| InChI | InChI=1S/C8H9NO2/c1-2-11-8-4-3-7(6-10)9-5-8/h3-6H,2H2,1H3 |
| InChI Key | KTZZOUDDELTUFZ-UHFFFAOYSA-N |
| MDL Number | MFCD18250539 |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.1626 |
| SMILES | CCOC1=CN=C(C=C1)C=O |
| Synonyms | 5-Ethoxypicolinaldehyde,
1246536-95-7,
5-ethoxypyridine-2-carbaldehyde,
2-Pyridinecarboxaldehyde, 5-ethoxy-,
SCHEMBL934205,
5-ethoxy-pyridine-2-carbaldehyde,
KTZZOUDDELTUFZ-UHFFFAOYSA-N,
ZINC83137896,
AKOS017515033,
AB73192,
NE49890,
AJ-125757,
A1-07988,
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| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.165g/mol |
| Monoisotopic Mass | 151.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
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