| CAS Number | 108522-49-2 |
| Catalog Number | AG007CNV(AGN-PC-0OYKUT) |
| Chemical Name | methyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate |
| IUPAC Name | methyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate |
| InChI | InChI=1S/C10H11NO3/c1-7-3-4-8(6-11-7)9(12)5-10(13)14-2/h3-4,6H,5H2,1-2H3 |
| InChI Key | BFYWFBJBBFRVFX-UHFFFAOYSA-N |
| MDL Number | MFCD11974592 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | COC(CC(C1=CN=C(C)C=C1)=O)=O |
| Synonyms | METHYL 2-(6-METHYLNICOTINYL)ACETATE,
108522-49-2,
methyl 3-(6-methylpyridin-3-yl)-3-oxopropanoate,
SCHEMBL4734775,
CTK8G0873,
DTXSID10603026,
ZINC35645251,
AKOS022972351,
RT-013743,
FT-0671924,
J-002159,
6-Methyl-|A-oxo-3-pyridinepropanoic Acid Methyl Ester,
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| Complexity | 227 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number