| CAS Number | 1439900-09-0 |
| Catalog Number | AG01BNMD |
| Chemical Name | 1-Cyclobutyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-cyclobutyl-2-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H11NO3/c12-9-8(10(13)14)5-2-6-11(9)7-3-1-4-7/h2,5-7H,1,3-4H2,(H,13,14) |
| InChI Key | QXCQOGBBDXKUQT-UHFFFAOYSA-N |
| MDL Number | MFCD26096896 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | OC(C1C(=O)N(C2CCC2)C=CC=1)=O |
| Synonyms | 1-Cyclobutyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
1439900-09-0,
ZINC98214084,
AKOS027393413,
KS-7897,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number