| CAS Number | 5296-20-8 |
| Catalog Number | AG00I9GI |
| Chemical Name | 2-[(2,3,6-trimethylphenoxy)methyl]oxirane |
| IUPAC Name | 2-[(2,3,6-trimethylphenoxy)methyl]oxirane |
| InChI | InChI=1S/C12H16O2/c1-8-4-5-9(2)12(10(8)3)14-7-11-6-13-11/h4-5,11H,6-7H2,1-3H3 |
| InChI Key | GRDGVKZFGLIZHQ-UHFFFAOYSA-N |
| MDL Number | MFCD07324824 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | CC1=C(C)C(OCC2OC2)=C(C)C=C1 |
| Synonyms | 2-(2,3,6-trimethylphenoxymethyl)oxirane,
5296-20-8,
2-[(2,3,6-trimethylphenoxy)methyl]oxirane,
AC1MVQP9,
AC1Q2JIZ,
SCHEMBL12130834,
CTK6B7455,
MFCD07324824,
AKOS000116864,
AKOS017276346,
MCULE-4907155417,
NE22823,
EN300-09215,
ZINC04199996,
CID3737141,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.258g/mol |
| Monoisotopic Mass | 192.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number