| CAS Number | 1934931-10-8 |
| Catalog Number | AG01DIFT |
| Chemical Name | Methyl 1-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| IUPAC Name | methyl 1-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate |
| InChI | InChI=1S/C8H11NO3/c1-9-5-6(8(11)12-2)3-4-7(9)10/h5H,3-4H2,1-2H3 |
| InChI Key | UDTYNQPXZMDEIK-UHFFFAOYSA-N |
| MDL Number | MFCD00030999 |
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.1778 |
| SMILES | CN1C=C(CCC1=O)C(=O)OC |
| Synonyms | 1934931-10-8,
Methyl 1-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate,
1-METHYL-6-OXO-1,4,5,6-TETRAHYDRO-PYRIDINE-3-CARBOXYLIC ACID METHYL ESTER,
MFCD00030999,
ZINC261004186,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.18g/mol |
| Monoisotopic Mass | 169.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number