| CAS Number | 1263162-32-8 |
| Catalog Number | AG01EICF |
| Chemical Name | 1-[4-(2-methylpropyl)phenyl]ethane-1,2-diol |
| IUPAC Name | 1-[4-(2-methylpropyl)phenyl]ethane-1,2-diol |
| InChI | InChI=1S/C12H18O2/c1-9(2)7-10-3-5-11(6-4-10)12(14)8-13/h3-6,9,12-14H,7-8H2,1-2H3 |
| InChI Key | SSTUHTOROWEIFL-UHFFFAOYSA-N |
| MDL Number | MFCD21881955 |
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.2701 |
| SMILES | CC(CC1=CC=C(C(CO)O)C=C1)C |
| Synonyms | AKOS019066871,
1-[4-(2-METHYLPROPYL)PHENYL]ETHANE-1,2-DIOL,
1263162-32-8,
|
| Complexity | 148 |
| 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 | 4 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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