| CAS Number | 183438-97-3 |
| Catalog Number | AG0027KI(AGN-PC-07AA06) |
| Chemical Name | 6-ethynylpyridine-2-carbaldehyde |
| IUPAC Name | 6-ethynylpyridine-2-carbaldehyde |
| InChI | InChI=1S/C8H5NO/c1-2-7-4-3-5-8(6-10)9-7/h1,3-6H |
| InChI Key | PQTBOUTVACLTJW-UHFFFAOYSA-N |
| MDL Number | MFCD11111247 |
| Molecular Formula | C8H5NO |
| Molecular Weight | 131.1314 |
| SMILES | O=CC1=NC(C#C)=CC=C1 |
| Synonyms | 6-ethynylpyridine-2-carbaldehyde,
6-ethynylpicolinaldehyde,
183438-97-3,
2-Pyridinecarboxaldehyde, 6-ethynyl-,
SCHEMBL12538549,
6-ethynyl-2-Pyridinecarbaldehyde,
CTK8E5413,
DTXSID70663661,
ZINC39048979,
AKOS006306683,
TX-017315,
FT-0700994,
F-5035,
2-Pyridinecarboxaldehyde, 6-ethynyl- (9CI),
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.134g/mol |
| Monoisotopic Mass | 131.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number