| CAS Number | 444921-39-5 |
| Catalog Number | AG01A4NC |
| Chemical Name | [4-(2-Methylbutan-2-yl)phenyl]methanol |
| IUPAC Name | [4-(2-methylbutan-2-yl)phenyl]methanol |
| InChI | InChI=1S/C12H18O/c1-4-12(2,3)11-7-5-10(9-13)6-8-11/h5-8,13H,4,9H2,1-3H3 |
| InChI Key | NYDVJRKFNKWLAO-UHFFFAOYSA-N |
| MDL Number | MFCD19440013 |
| Molecular Formula | C12H18O |
| Molecular Weight | 178.2707 |
| SMILES | CCC(C1=CC=C(CO)C=C1)(C)C |
| Synonyms | [4-(2-methylbutan-2-yl)phenyl]methanol,
444921-39-5,
SCHEMBL5750563,
ZINC83119380,
AKOS014313504,
MCULE-5911495230,
NE41478,
Z1815149218,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.275g/mol |
| Monoisotopic Mass | 178.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number