| CAS Number | 1249866-43-0 |
| Catalog Number | AG01BCWL |
| Chemical Name | 1-[4-(but-2-yn-1-yloxy)phenyl]ethan-1-ol |
| IUPAC Name | 1-(4-but-2-ynoxyphenyl)ethanol |
| InChI | InChI=1S/C12H14O2/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8,10,13H,9H2,1-2H3 |
| InChI Key | QOVQHXPZCPDHRK-UHFFFAOYSA-N |
| MDL Number | MFCD16706020 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | CC#CCOC1=CC=C(C(O)C)C=C1 |
| Synonyms | 1-[4-(but-2-yn-1-yloxy)phenyl]ethan-1-ol,
1249866-43-0,
AKOS011595369,
NE47897,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number