| CAS Number | 55703-68-9 |
| Catalog Number | AG01ALUU |
| Chemical Name | 4-Ethyl-3,5-dimethoxybenzoic acid |
| IUPAC Name | 4-ethyl-3,5-dimethoxybenzoic acid |
| InChI | InChI=1S/C11H14O4/c1-4-8-9(14-2)5-7(11(12)13)6-10(8)15-3/h5-6H,4H2,1-3H3,(H,12,13) |
| InChI Key | DZTFGFNNWPBJJT-UHFFFAOYSA-N |
| MDL Number | MFCD24482424 |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.2265 |
| SMILES | CCC1=C(C=C(C=C1OC)C(=O)O)OC |
| Synonyms | 4-ethyl-3,5-dimethoxybenzoic acid,
55703-68-9,
3,5-dimethoxy-4-ethylbenzoic acid,
SCHEMBL10317598,
AKOS033802759,
ZINC142792828,
Z2211231355,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.229g/mol |
| Monoisotopic Mass | 210.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number