| CAS Number | 67648-04-8 |
| Catalog Number | AG01FM72(AGN-PC-0TPJ1V) |
| Chemical Name | 5-phenylpent-1-yn-3-ol |
| IUPAC Name | 5-phenylpent-1-yn-3-ol |
| InChI | InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h1,3-7,11-12H,8-9H2 |
| InChI Key | RGYWMXFWIZGWSF-UHFFFAOYSA-N |
| MDL Number | MFCD20942935 |
| Molecular Formula | C11H12O |
| Molecular Weight | 160.2124 |
| SMILES | C#CC(O)CCC1=CC=CC=C1 |
| Synonyms | 5-phenylpent-1-yn-3-ol,
67648-04-8,
5-Phenyl-1-pentyne-3-ol,
SCHEMBL817399,
99902-35-9,
AKOS014245515,
F8883-8328,
CID10374710,
|
| Complexity | 159 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.216g/mol |
| Monoisotopic Mass | 160.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number