| CAS Number | 1986455-23-5 |
| Catalog Number | AG019EXG |
| Chemical Name | Methyl 3-oxo-3-(pyridin-2yl)propanoate |
| IUPAC Name | methyl 3-oxo-3-(2H-pyridin-1-yl)propanoate |
| InChI | InChI=1S/C9H11NO3/c1-13-9(12)7-8(11)10-5-3-2-4-6-10/h2-5H,6-7H2,1H3 |
| InChI Key | MMJVAKFTVVNTHR-UHFFFAOYSA-N |
| MDL Number | MFCD11849520 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COC(=O)CC(=O)N1CC=CC=C1 |
| Synonyms | ZINC85343543,
LUXG-75418-74-5,
AB0072801,
AX8212711,
1986455-23-5,
Methyl 3-oxo-3-(pyridin-2yl)propanoate,
75418-74-5,
|
| Complexity | 268 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number