| CAS Number | 773134-71-7 |
| Catalog Number | AG01EXCU(AGN-PC-3H48AC) |
| Chemical Name | 4-Ethoxy-3-methoxy-benzoic acid ethyl ester |
| IUPAC Name | ethyl 4-ethoxy-3-methoxybenzoate |
| InChI | InChI=1S/C12H16O4/c1-4-15-10-7-6-9(8-11(10)14-3)12(13)16-5-2/h6-8H,4-5H2,1-3H3 |
| InChI Key | ONAWEDBUJZYTQQ-UHFFFAOYSA-N |
| MDL Number | MFCD06204363 |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.2530 |
| SMILES | C1=CC(=C(OC)C=C1C(=O)OCC)OCC |
| Synonyms | 4-Ethoxy-3-methoxy-benzoic acid ethyl ester,
773134-71-7,
SCHEMBL310621,
DTXSID60634668,
ethyl 4-ethoxy-3-methoxybenzoate,
ZINC44200303,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.256g/mol |
| Monoisotopic Mass | 224.105g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number