| CAS Number | 25163-88-6 |
| Catalog Number | AG01ANE3(AGN-PC-00OZLT) |
| Chemical Name | 1-(tert-butyl)-4-(prop-1-en-2-yl)benzene |
| IUPAC Name | 1-tert-butyl-4-prop-1-en-2-ylbenzene |
| InChI | InChI=1S/C13H18/c1-10(2)11-6-8-12(9-7-11)13(3,4)5/h6-9H,1H2,2-5H3 |
| InChI Key | IHKJXCKVKGBGSQ-UHFFFAOYSA-N |
| MDL Number | MFCD00027695 |
| Molecular Formula | C13H18 |
| Molecular Weight | 174.2820 |
| SMILES | CC(C1=CC=C(C(C)(C)C)C=C1)=C |
| Synonyms | 1-tert-butyl-4-(prop-1-en-2-yl)benzene,
25163-88-6,
4-tert-butyl-alpha-methylstyrene,
alpha-Methyl-4-tert-butylstyrene,
IHKJXCKVKGBGSQ-UHFFFAOYSA-N,
ZINC59128137,
AKOS013992173,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.287g/mol |
| Monoisotopic Mass | 174.141g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number