| CAS Number | 1228112-80-8 |
| Catalog Number | AG00AA3S |
| Chemical Name | 6-cyclobutylnicotinic acid |
| IUPAC Name | 6-cyclobutylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H11NO2/c12-10(13)8-4-5-9(11-6-8)7-2-1-3-7/h4-7H,1-3H2,(H,12,13) |
| InChI Key | SSLLIMVFGWNYMQ-UHFFFAOYSA-N |
| MDL Number | MFCD26097137 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | OC(C1=CN=C(C2CCC2)C=C1)=O |
| Synonyms | 6-cyclobutylnicotinic acid,
1228112-80-8,
ZX-RL006521,
ZINC82398432,
FCH2424203,
KS-8431,
OR306622,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number