| CAS Number | 58650-11-6 |
| Catalog Number | AG01ALSN(AGN-PC-0NKA0S) |
| Chemical Name | 1-Ethynyl-3-phenylbenzene |
| IUPAC Name | 1-ethynyl-3-phenylbenzene |
| InChI | InChI=1S/C14H10/c1-2-12-7-6-10-14(11-12)13-8-4-3-5-9-13/h1,3-11H |
| InChI Key | PIARMLHJPVJQKG-UHFFFAOYSA-N |
| MDL Number | MFCD20484134 |
| Molecular Formula | C14H10 |
| Molecular Weight | 178.2292 |
| SMILES | C(#C)c1cc(ccc1)c1ccccc1 |
| Synonyms | 3-Ethynyl-1,1'-biphenyl,
58650-11-6,
1-Ethynyl-3-phenylbenzene,
3-Ethynylbiphenyl,
3-biphenylylacetylene,
1,1'-Biphenyl, 3-ethynyl-,
CTK1E9222,
DTXSID00509866,
PIARMLHJPVJQKG-UHFFFAOYSA-N,
ZINC98181073,
AKOS024261469,
FCH2569920,
AJ-142179,
EN300-221800,
A1-04966,
Z2205998964,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.234g/mol |
| Monoisotopic Mass | 178.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number