| CAS Number | 94994-33-9 |
| Catalog Number | AG01EGF5(AGN-PC-0OO0IU) |
| Chemical Name | {4-ethynylbicyclo[2.2.2]octan-1-yl}methanol |
| IUPAC Name | (4-ethynyl-1-bicyclo[2.2.2]octanyl)methanol |
| InChI | InChI=1S/C11H16O/c1-2-10-3-6-11(9-12,7-4-10)8-5-10/h1,12H,3-9H2 |
| InChI Key | PCEKETYGXQLQAY-UHFFFAOYSA-N |
| MDL Number | MFCD29042864 |
| Molecular Formula | C11H16O |
| Molecular Weight | 164.2441 |
| SMILES | C(#C)C12CCC(CC1)(CC2)CO |
| Synonyms | (4-Ethynylbicyclo[2.2.2]octan-1-yl)methanol,
94994-33-9,
{4-ethynylbicyclo[2.2.2]octan-1-yl}methanol,
MFCD29042864,
ZINC224094450,
(4-Ethynylbicyclo[2.2.2]oct-1-yl)methanol,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.248g/mol |
| Monoisotopic Mass | 164.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number