| CAS Number | 354153-47-2 |
| Catalog Number | AG01BLXT(AGN-PC-008D90) |
| Chemical Name | 1-(2,4,6-trimethylphenyl)ethane-1,2-diol |
| IUPAC Name | 1-(2,4,6-trimethylphenyl)ethane-1,2-diol |
| InChI | InChI=1S/C11H16O2/c1-7-4-8(2)11(9(3)5-7)10(13)6-12/h4-5,10,12-13H,6H2,1-3H3 |
| InChI Key | JXHICCPIVYTCHE-UHFFFAOYSA-N |
| MDL Number | MFCD21880869 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | CC1=CC(C)=C(C(CO)O)C(C)=C1 |
| Synonyms | 1-(2,4,6-trimethylphenyl)ethane-1,2-diol,
354153-47-2,
1-Mesitylethane-1,2-diol,
AKOS019066943,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.11503g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.24g/mol |
| Monoisotopic Mass | 180.11503g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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