| CAS Number | 145551-14-0 |
| Catalog Number | AG001D60(AGN-PC-0JK6GN) |
| Chemical Name | 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, 2-phenylethyl ester |
| IUPAC Name | 2-phenylethyl 3-(3,4-dimethoxyphenyl)prop-2-enoate |
| InChI | InChI=1S/C19H20O4/c1-21-17-10-8-16(14-18(17)22-2)9-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3 |
| InChI Key | OHBFHJOQNCVEOU-UHFFFAOYSA-N |
| MDL Number | MFCD01073561 |
| Molecular Formula | C19H20O4 |
| Molecular Weight | 312.3597 |
| SMILES | COC=1C=C(C=CC1OC)C=CC(=O)OCCC1=CC=CC=C1 |
| Synonyms | Phenethyl Dimethyl Caffeate,
145551-14-0,
AC1L1F8T,
CTK6J5743,
CTK8E8738,
AKOS030239800,
FT-0664188,
phenethyl 3-(3,4-dimethoxyphenyl)prop-2-enoate,
2-phenylethyl 3-(3,4-dimethoxyphenyl)prop-2-enoate,
CID3133,
NSC666253,
Caffeic Acid Dimethyl Ether Phenethyl Ester,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.365g/mol |
| Monoisotopic Mass | 312.136g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number