| CAS Number | 1423025-03-9 |
| Catalog Number | AG01A3NG |
| Chemical Name | propan-2-yl 2-hydroxypyridine-4-carboxylate |
| IUPAC Name | propan-2-yl 2-oxo-1H-pyridine-4-carboxylate |
| InChI | InChI=1S/C9H11NO3/c1-6(2)13-9(12)7-3-4-10-8(11)5-7/h3-6H,1-2H3,(H,10,11) |
| InChI Key | ABUWUNCCHYQIFZ-UHFFFAOYSA-N |
| MDL Number | MFCD22741320 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | CC(OC(C1=CC(O)=NC=C1)=O)C |
| Synonyms | propan-2-yl 2-hydroxypyridine-4-carboxylate,
1423025-03-9,
ZINC88613660,
AKOS033551089,
NE17033,
propan-2-yl 2-oxo-1,2-dihydropyridine-4-carboxylate,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number