| CAS Number | 156744-78-4 |
| Catalog Number | AG01BCF4 |
| Chemical Name | 2-(2,3-Dimethylphenyl)Propan-2-Ol |
| IUPAC Name | 2-(2,3-dimethylphenyl)propan-2-ol |
| InChI | InChI=1S/C11H16O/c1-8-6-5-7-10(9(8)2)11(3,4)12/h5-7,12H,1-4H3 |
| InChI Key | LYAYPVCAAQCSGB-UHFFFAOYSA-N |
| MDL Number | MFCD16794554 |
| Molecular Formula | C11H16O |
| Molecular Weight | 164.2441 |
| SMILES | C(C)(C)(O)c1c(C)c(C)ccc1 |
| Synonyms | 2-(2,3-dimethylphenyl)propan-2-ol,
156744-78-4,
2-(2,3-dimethyl-phenyl)-propan-2-ol,
2-(2,3-Dimethylphenyl)-2-propanol,
SCHEMBL2422395,
LYAYPVCAAQCSGB-UHFFFAOYSA-N,
ZINC53328336,
AKOS011840225,
Z2197092768,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.248g/mol |
| Monoisotopic Mass | 164.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number