| CAS Number | 677762-57-1 |
| Catalog Number | AG00FGQJ(AGN-PC-03H6QL) |
| Chemical Name | 1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-cyclopropyl-6-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H9NO3/c11-8-4-1-6(9(12)13)5-10(8)7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13) |
| InChI Key | WTEIFYMIOHDHRC-UHFFFAOYSA-N |
| MDL Number | MFCD16041994 |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.1727 |
| SMILES | OC(C1=CN(C2CC2)C(=O)C=C1)=O |
| Synonyms | 1-cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
677762-57-1,
SCHEMBL3160335,
CTK8D4143,
DTXSID30619447,
1-Cyclopropyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid,
ZINC55345714,
AKOS009159262,
AJ-112736,
TC-072079,
I14-12863,
Z2489418741,
ACN-039121,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.175g/mol |
| Monoisotopic Mass | 179.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number