| CAS Number | 1256805-99-8 |
| Catalog Number | AG000ODW(AGN-PC-0BSDP7) |
| Chemical Name | Pyridine, 2-ethynyl-3-methoxy- |
| IUPAC Name | 2-ethynyl-3-methoxypyridine |
| InChI | InChI=1S/C8H7NO/c1-3-7-8(10-2)5-4-6-9-7/h1,4-6H,2H3 |
| InChI Key | QXMSDSFEQQXTFQ-UHFFFAOYSA-N |
| MDL Number | MFCD18256372 |
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.1473 |
| SMILES | COC1=CC=CN=C1C#C |
| Synonyms | 2-ethynyl-3-methoxypyridine,
1256805-99-8,
Pyridine, 2-ethynyl-3-methoxy-,
ACMC-20dzby,
CTK8E4021,
DTXSID40723680,
KS-000001MG,
MFCD18256372,
ZINC77025025,
AKOS022173453,
TRA0058703,
CJ-21895,
AJ-122376,
RT-000035,
CS-0059692,
F-1086,
A1-01962,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.15g/mol |
| Monoisotopic Mass | 133.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number