| CAS Number | 1005327-66-1 |
| Catalog Number | AG01BARW |
| Chemical Name | 6-ethylnicotinaldehyde |
| IUPAC Name | 6-ethylpyridine-3-carbaldehyde |
| InChI | InChI=1S/C8H9NO/c1-2-8-4-3-7(6-10)5-9-8/h3-6H,2H2,1H3 |
| InChI Key | IXIJMGBBVFLJJR-UHFFFAOYSA-N |
| MDL Number | MFCD13175988 |
| Molecular Formula | C8H9NO |
| Molecular Weight | 135.1632 |
| SMILES | CCC1=NC=C(C=O)C=C1 |
| Synonyms | 6-ethylnicotinaldehyde,
1005327-66-1,
6-ethylpyridine-3-carbaldehyde,
3-PYRIDINECARBOXALDEHYDE, 6-ETHYL-,
SCHEMBL7999255,
DTXSID10617082,
MFCD13175988,
ZINC72231338,
AS-36374,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.166g/mol |
| Monoisotopic Mass | 135.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number