| CAS Number | 568558-20-3 |
| Catalog Number | AG00IA4Z |
| Chemical Name | (2E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid |
| IUPAC Name | (E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid |
| InChI | InChI=1S/C15H20O4/c1-4-18-14-9-12(6-8-15(16)17)5-7-13(14)19-10-11(2)3/h5-9,11H,4,10H2,1-3H3,(H,16,17)/b8-6+ |
| InChI Key | IHGRHOVEGOKGAX-SOFGYWHQSA-N |
| MDL Number | MFCD03985184 |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.3169 |
| SMILES | CCOC1=C(OCC(C)C)C=CC(/C=C/C(O)=O)=C1 |
| Synonyms | EN300-05923,
3-(3-Ethoxy-4-isobutoxy-phenyl)-acrylic acid,
568558-20-3,
(2E)-3-[3-Ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid,
3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid,
AC1M7DCC,
3-Ethoxy-4-isobutoxycinnamic acid,
HMS1409F19,
AC1Q3622,
ZINC3324528,
MFCD03985184,
AKOS000117685,
NE56914,
SR-01000043372,
SR-01000043372-1,
(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoic acid,
Enamine_005409,
CID2440020,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 264.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.321g/mol |
| Monoisotopic Mass | 264.136g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number