| CAS Number | 1108725-46-7 |
| Catalog Number | AG01DYFA |
| Chemical Name | 5-Tert-butylpyridine-3-carbaldehyde |
| IUPAC Name | 5-tert-butylpyridine-3-carbaldehyde |
| InChI | InChI=1S/C10H13NO/c1-10(2,3)9-4-8(7-12)5-11-6-9/h4-7H,1-3H3 |
| InChI Key | OTGYHWGVQQVLNM-UHFFFAOYSA-N |
| MDL Number | MFCD18254140 |
| Molecular Formula | C10H13NO |
| Molecular Weight | 163.2163 |
| SMILES | CC(C1=CC(C=O)=CN=C1)(C)C |
| Synonyms | 5-(tert-Butyl)nicotinaldehyde,
1108725-46-7,
5-tert-butylnicotinaldehyde,
SCHEMBL3512146,
OTGYHWGVQQVLNM-UHFFFAOYSA-N,
5-tert-butylpyridine-3-carbaldehyde,
ZINC107456624,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.22g/mol |
| Monoisotopic Mass | 163.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number