| CAS Number | 1196156-66-7 |
| Catalog Number | AG000PCL(AGN-PC-08XT59) |
| Chemical Name | methyl 3-ethynylpyridine-2-carboxylate |
| IUPAC Name | methyl 3-ethynylpyridine-2-carboxylate |
| InChI | InChI=1S/C9H7NO2/c1-3-7-5-4-6-10-8(7)9(11)12-2/h1,4-6H,2H3 |
| InChI Key | GXGRTSAWVKPINB-UHFFFAOYSA-N |
| MDL Number | MFCD13189769 |
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.1574 |
| SMILES | C#CC1=C(C(=O)OC)N=CC=C1 |
| Synonyms | methyl 3-ethynylpyridine-2-carboxylate,
METHYL 3-ETHYNYLPICOLINATE,
1196156-66-7,
AC1Q42DK,
DTXSID70679101,
ZINC57218763,
AB69078,
AJ-112841,
EN300-71369,
F-1852,
2-Pyridinecarboxylic acid, 3-ethynyl-, methyl ester,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.16g/mol |
| Monoisotopic Mass | 161.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number