| CAS Number | 1174028-18-2 |
| Catalog Number | AG000E84(AGN-PC-0WD4Q0) |
| Chemical Name | 3-Pyridinecarboxylic acid, 5,6-dimethyl-, methyl ester |
| IUPAC Name | methyl 5,6-dimethylpyridine-3-carboxylate |
| InChI | InChI=1S/C9H11NO2/c1-6-4-8(9(11)12-3)5-10-7(6)2/h4-5H,1-3H3 |
| InChI Key | FQYVDJYSYAEPIP-UHFFFAOYSA-N |
| MDL Number | MFCD19440424 |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| SMILES | CC=1C(=NC=C(C(=O)OC)C1)C |
| Synonyms | Methyl 5,6-dimethylnicotinate,
1174028-18-2,
methyl 5,6-dimethylpyridine-3-carboxylate,
Methyl 5,6-dimethyl-3-pyridinecarboxylate,
SCHEMBL335203,
FQYVDJYSYAEPIP-UHFFFAOYSA-N,
4295AJ,
MFCD19440424,
ZINC88315001,
5,6-Dimethyl-nicotinic acid methyl ester,
AJ-128210,
FT-0756925,
3-Pyridinecarboxylic acid, 5,6-dimethyl-, methyl ester,
C9H11NO2,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.192g/mol |
| Monoisotopic Mass | 165.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number