| CAS Number | 241498-49-7 |
| Catalog Number | AG01A7RZ(AGN-PC-01V578) |
| Chemical Name | Methyl 2-(4-formyl-2,6-dimethylphenoxy)acetate |
| IUPAC Name | methyl 2-(4-formyl-2,6-dimethylphenoxy)acetate |
| InChI | InChI=1S/C12H14O4/c1-8-4-10(6-13)5-9(2)12(8)16-7-11(14)15-3/h4-6H,7H2,1-3H3 |
| InChI Key | MSJWOCJILYIXQQ-UHFFFAOYSA-N |
| MDL Number | MFCD11188405 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | COC(COC1=C(C)C=C(C=O)C=C1C)=O |
| Synonyms | methyl 2-(4-formyl-2,6-dimethylphenoxy)acetate,
241498-49-7,
AC1Q447X,
SCHEMBL7683038,
CTK6J2671,
MSJWOCJILYIXQQ-UHFFFAOYSA-N,
ZINC20424556,
AKOS009241019,
NE29191,
EN300-59639,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.24g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number