| CAS Number | 1563403-13-3 |
| Catalog Number | AG01E80M |
| Chemical Name | (2E)-3-(2,4,5-trimethylphenyl)prop-2-en-1-ol |
| IUPAC Name | 3-(2,4,5-trimethylphenyl)prop-2-en-1-ol |
| InChI | InChI=1S/C12H16O/c1-9-7-11(3)12(5-4-6-13)8-10(9)2/h4-5,7-8,13H,6H2,1-3H3 |
| InChI Key | XQGQYHKZVPIYIW-UHFFFAOYSA-N |
| MDL Number | MFCD21852651 |
| Molecular Formula | C12H16O |
| Molecular Weight | 176.2548 |
| SMILES | CC1=C(C)C=C(/C=C/CO)C(C)=C1 |
| Synonyms | (2E)-3-(2,4,5-trimethylphenyl)prop-2-en-1-ol,
1563403-13-3,
AKOS017888426,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.259g/mol |
| Monoisotopic Mass | 176.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number