| CAS Number | 1565341-07-2 |
| Catalog Number | AG01BUZV |
| Chemical Name | 1-Ethynyl-3-propoxybenzene |
| IUPAC Name | 1-ethynyl-3-propoxybenzene |
| InChI | InChI=1S/C11H12O/c1-3-8-12-11-7-5-6-10(4-2)9-11/h2,5-7,9H,3,8H2,1H3 |
| InChI Key | ULZWSPUDPHQRML-UHFFFAOYSA-N |
| MDL Number | MFCD26853290 |
| Molecular Formula | C11H12O |
| Molecular Weight | 160.2124 |
| SMILES | CCCOC1=CC(C#C)=CC=C1 |
| Synonyms | 1-ethynyl-3-propoxybenzene,
1565341-07-2,
ZINC130329017,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.216g/mol |
| Monoisotopic Mass | 160.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number