| CAS Number | 571156-08-6 |
| Catalog Number | AG019IBL |
| Chemical Name | 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid |
| IUPAC Name | 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid |
| InChI | InChI=1S/C17H18O5/c1-2-20-16-12-13(17(18)19)8-9-15(16)22-11-10-21-14-6-4-3-5-7-14/h3-9,12H,2,10-11H2,1H3,(H,18,19) |
| InChI Key | WODYIEDJGMSCBV-UHFFFAOYSA-N |
| MDL Number | MFCD03988230 |
| Molecular Formula | C17H18O5 |
| Molecular Weight | 302.3218 |
| SMILES | CCOc1cc(ccc1OCCOc1ccccc1)C(=O)O |
| Synonyms | 3-ethoxy-4-(2-phenoxyethoxy)benzoic Acid,
571156-08-6,
3-Ethoxy-4-(2-phenoxy-ethoxy)-benzoic acid,
AC1M6ZX0,
AC1Q35YX,
MLS001176993,
CHEMBL1568867,
CTK6G1206,
HMS1757K08,
HMS2916I19,
ZINC3317479,
AKOS000117088,
MCULE-9803046790,
NE35421,
SMR000590572,
EN300-06256,
CID2433229,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.326g/mol |
| Monoisotopic Mass | 302.115g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number