| CAS Number | 66158-26-7 |
| Catalog Number | AG01BRX2(AGN-PC-02RSR1) |
| Chemical Name | 1-Tert-butyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-tert-butyl-2-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H13NO3/c1-10(2,3)11-6-4-5-7(8(11)12)9(13)14/h4-6H,1-3H3,(H,13,14) |
| InChI Key | ODRSRNLRTYDDRX-UHFFFAOYSA-N |
| MDL Number | MFCD19314850 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CC(N1C(=O)C(C(O)=O)=CC=C1)(C)C |
| Synonyms | 1-tert-butyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
66158-26-7,
1-(t-butyl)-3-carboxy-pyrid-2-one,
SCHEMBL11633601,
ZINC49811443,
AKOS022343180,
MCULE-9678636876,
NS-01918,
1-tert-butyl-2-oxo-1,2-dihydropyridine-3-carboxylicacid,
Z2740003132,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number