| CAS Number | 100994-03-4 |
| Catalog Number | AG01AV0T(AGN-PC-0OQ8B5) |
| Chemical Name | 2-Methyl-1-(2-methylphenyl)propan-1-ol |
| IUPAC Name | 2-methyl-1-(2-methylphenyl)propan-1-ol |
| InChI | InChI=1S/C11H16O/c1-8(2)11(12)10-7-5-4-6-9(10)3/h4-8,11-12H,1-3H3 |
| InChI Key | HNSKCRIMSDMNQQ-UHFFFAOYSA-N |
| MDL Number | MFCD12153670 |
| Molecular Formula | C11H16O |
| Molecular Weight | 164.2441 |
| SMILES | CC(C(C1=C(C)C=CC=C1)O)C |
| Synonyms | 2-methyl-1-(2-methylphenyl)propan-1-ol,
100994-03-4,
1-o-methylphenyl-2-methylpropanol,
SCHEMBL6055139,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.120115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.24g/mol |
| Monoisotopic Mass | 164.120115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number