| CAS Number | 565171-31-5 |
| Catalog Number | AG019I6U |
| Chemical Name | 3-{4-[(4-tert-butylphenyl)methoxy]-3-ethoxyphenyl}prop-2-enoic acid |
| IUPAC Name | 3-[4-[(4-tert-butylphenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid |
| InChI | InChI=1S/C22H26O4/c1-5-25-20-14-16(9-13-21(23)24)8-12-19(20)26-15-17-6-10-18(11-7-17)22(2,3)4/h6-14H,5,15H2,1-4H3,(H,23,24) |
| InChI Key | KCIZJZMPDKEYJR-UHFFFAOYSA-N |
| MDL Number | MFCD03982043 |
| Molecular Formula | C22H26O4 |
| Molecular Weight | 354.4394 |
| SMILES | CCOC1=C(OCC2=CC=C(C(C)(C)C)C=C2)C=CC(C=CC(O)=O)=C1 |
| Synonyms | 3-{4-[(4-tert-butylphenyl)methoxy]-3-ethoxyphenyl}prop-2-enoic acid,
565171-31-5,
3-[4-[(4-tert-butylphenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid,
AC1MQO3G,
CTK6G0590,
MCULE-9484654561,
Z56911967,
CID3479800,
3-[4-(4-tert-Butyl-benzyloxy)-3-ethoxy-phenyl]-acrylic acid,
3-[3-ethoxy-4-[(4-tert-butylphenyl)methoxy]phenyl]prop-2-enoic Acid,
|
| Complexity | 457 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.446g/mol |
| Monoisotopic Mass | 354.183g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number