| CAS Number | 1044695-85-3 |
| Catalog Number | AG01BLXV |
| Chemical Name | 1-(4-Tert-butylphenyl)ethane-1,2-diol |
| IUPAC Name | 1-(4-tert-butylphenyl)ethane-1,2-diol |
| InChI | InChI=1S/C12H18O2/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7,11,13-14H,8H2,1-3H3 |
| InChI Key | NNPXCFIPWDBGNX-UHFFFAOYSA-N |
| MDL Number | MFCD30535912 |
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.2701 |
| SMILES | CC(C1=CC=C(C(CO)O)C=C1)(C)C |
| Synonyms | 1-(4-tert-butylphenyl)ethane-1,2-diol,
1044695-85-3,
SCHEMBL1629743,
NNPXCFIPWDBGNX-UHFFFAOYSA-N,
(4-tert-butylphenyl)ethane 1,2 diol,
AKOS019066870,
1-(4-tert-Butylphenyl)ethylene glycol,
(4-tert-butylphenyl) ethane 1,2 diol,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.274g/mol |
| Monoisotopic Mass | 194.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number