| CAS Number | 423736-06-5 |
| Catalog Number | AG00C8F7(AGN-PC-0WB4FE) |
| Chemical Name | (E)-3-(2,4-Diethoxyphenyl)acrylic acid |
| IUPAC Name | 3-(2,4-diethoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C13H16O4/c1-3-16-11-7-5-10(6-8-13(14)15)12(9-11)17-4-2/h5-9H,3-4H2,1-2H3,(H,14,15) |
| InChI Key | OCSURSYLLPHFLE-UHFFFAOYSA-N |
| MDL Number | MFCD02212742 |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.2637 |
| SMILES | C(/C1=CC=C(C=C1OCC)OCC)=CC(O)=O |
| Synonyms | 423736-06-5,
3-(2,4-diethoxyphenyl)prop-2-enoic Acid,
(E)-3-(2,4-DIETHOXYPHENYL)ACRYLIC ACID,
(2E)-3-(2,4-DIETHOXYPHENYL)ACRYLIC ACID,
2,4-Diathoxyzimtsaure,
AC1LGVYR,
CTK4I6106,
DTXSID40358118,
CHEMBRDG-BB 5975111,
AKOS030253912,
MCULE-3269509165,
3-(2,4-diethoxyphenyl)acrylic acid,
CID877707,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.267g/mol |
| Monoisotopic Mass | 236.105g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number