| CAS Number | 78574-08-0 |
| Catalog Number | AG0052QG(AGN-PC-00OOJD) |
| Chemical Name | 3-(4-(tert-Butyl)phenyl)propan-1-ol |
| EC Number | 616-636-2 |
| IUPAC Name | 3-(4-tert-butylphenyl)propan-1-ol |
| InChI | InChI=1S/C13H20O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-9,14H,4-5,10H2,1-3H3 |
| InChI Key | QFIGRGCEUZQJNG-UHFFFAOYSA-N |
| MDL Number | MFCD00464127 |
| Molecular Formula | C13H20O |
| Molecular Weight | 192.2973 |
| SMILES | C(C)(C)(C)C1=CC=C(C=C1)CCCO |
| Synonyms | 78574-08-0,
3-(4-tert-butylphenyl)propan-1-ol,
3-(4-(tert-Butyl)phenyl)propan-1-ol,
3-(4-TERT-BUTYL-PHENYL)-PROPAN-1-OL,
SCHEMBL1219727,
CTK5E5917,
DTXSID60570810,
ZINC19729355,
AKOS011897473,
MCULE-9902763208,
NE28398,
Benzenepropanol,4-(1,1-dimethylethyl)-,
Z1642579590,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.302g/mol |
| Monoisotopic Mass | 192.151g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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