| CAS Number | 880498-12-4 |
| Catalog Number | AG01BLY2(AGN-PC-0OLFKG) |
| Chemical Name | 1-(3,5-dimethylphenyl)ethane-1,2-diol |
| IUPAC Name | 1-(3,5-dimethylphenyl)ethane-1,2-diol |
| InChI | InChI=1S/C10H14O2/c1-7-3-8(2)5-9(4-7)10(12)6-11/h3-5,10-12H,6H2,1-2H3 |
| InChI Key | ADLFAFRZFUHITB-UHFFFAOYSA-N |
| MDL Number | MFCD24287489 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.217 |
| SMILES | CC1=CC(C(CO)O)=CC(C)=C1 |
| Synonyms | 1-(3,5-dimethylphenyl)ethane-1,2-diol,
880498-12-4,
AKOS021031192,
1,2-Ethanediol, 1-(3,5-dimethylphenyl)-,
1,2-Ethanediol,1-(3,5-dimethylphenyl)-,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.22g/mol |
| Monoisotopic Mass | 166.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number