| CAS Number | 40176-78-1 |
| Catalog Number | AG00C6TP(AGN-PC-00KSSG) |
| Chemical Name | 2-Ethynyl-Quinoline |
| IUPAC Name | 2-ethynylquinoline |
| InChI | InChI=1S/C11H7N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h1,3-8H |
| InChI Key | KLJNCYLWOJPRSX-UHFFFAOYSA-N |
| MDL Number | MFCD08703585 |
| Molecular Formula | C11H7N |
| Molecular Weight | 153.1800 |
| SMILES | C#CC1=NC2=CC=CC=C2C=C1 |
| Synonyms | 2-ethynylquinoline,
40176-78-1,
2-ETHYNYL-QUINOLINE,
Quinoline, 2-ethynyl-,
SCHEMBL740158,
CTK1D4745,
DTXSID40517607,
KLJNCYLWOJPRSX-UHFFFAOYSA-N,
ZINC1490816,
AKOS006238330,
AB48506,
AJ-26340,
SC-91694,
F-1575,
F2167-2848,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.184g/mol |
| Monoisotopic Mass | 153.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number