| CAS Number | 86604-02-6 |
| Catalog Number | AG01BTZJ |
| Chemical Name | 1-(4-tert-Butylphenyl)prop-2-yn-1-ol |
| IUPAC Name | 1-(4-tert-butylphenyl)prop-2-yn-1-ol |
| InChI | InChI=1S/C13H16O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h1,6-9,12,14H,2-4H3 |
| InChI Key | CDKPCBWQFWORLM-UHFFFAOYSA-N |
| MDL Number | MFCD21143254 |
| Molecular Formula | C13H16O |
| Molecular Weight | 188.2655 |
| SMILES | C(C)(C)(C)C1=CC=C(C=C1)C(C#C)O |
| Synonyms | 1-(4-tert-butylphenyl)prop-2-yn-1-ol,
86604-02-6,
SCHEMBL7200075,
AKOS014244893,
Z2768769231,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.27g/mol |
| Monoisotopic Mass | 188.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number