| CAS Number | 861376-63-8 |
| Catalog Number | AG01DPLL(AGN-PC-0WC5AR) |
| Chemical Name | 4-Ethoxy-3,5-dimethylbenzaldehyde |
| IUPAC Name | 4-ethoxy-3,5-dimethylbenzaldehyde |
| InChI | InChI=1S/C11H14O2/c1-4-13-11-8(2)5-10(7-12)6-9(11)3/h5-7H,4H2,1-3H3 |
| InChI Key | MFIBANLTLFSKKI-UHFFFAOYSA-N |
| MDL Number | MFCD06247333 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | C(C)OC1=C(C=C(C=O)C=C1C)C |
| Synonyms | 4-ETHOXY-3,5-DIMETHYLBENZALDEHYDE,
861376-63-8,
4-ethoxy-3,5-dimethyl-benzaldehyde,
SCHEMBL2010378,
CTK6G0127,
0938AF,
ZINC20363188,
AKOS005291695,
AJ-77294,
TR-070289,
BB 0254819,
C11H14O2,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number