Showing Metabocard for 4-oxo-4-(pyridin-3-yl)butanal (BASm0004773)
| Common Name | 4-oxo-4-(pyridin-3-yl)butanal |
|---|---|
| Description | 4-Oxo-1-(3-pyridyl)-1-butanone, also known as gamma-oxo-3-Pyridinebutanal or 3-Succinoylsemialdehyde-pyridine, is classified as a member of the Aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. 4-Oxo-1-(3-pyridyl)-1-butanone is considered to be soluble (in water) and relatively neutral |
| Structure | |
| Molecular Formula | C9H9NO2 |
| Average Mass | 163.17600 |
| Monoisotopic Mass | 163.06333 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | 76014-80-7 |
| SMILES | O=CCCC(=O)c1cccnc1 |
| InChI Identifier | InChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2 |
| InChI Key | CFONOJVUTZAMCB-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:66879 |
| HMDB ID | HMDB0062406 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |