| CAS Number | 1158111-59-1 |
| Catalog Number | AG01AP68 |
| Chemical Name | 3-(3,5-dimethoxy-4-propoxyphenyl)prop-2-enoic acid |
| IUPAC Name | 3-(3,5-dimethoxy-4-propoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C14H18O5/c1-4-7-19-14-11(17-2)8-10(5-6-13(15)16)9-12(14)18-3/h5-6,8-9H,4,7H2,1-3H3,(H,15,16) |
| InChI Key | MULQIWNSVCYELJ-UHFFFAOYSA-N |
| MDL Number | MFCD12678100 |
| Molecular Formula | C14H18O5 |
| Molecular Weight | 266.2897 |
| SMILES | O=C(O)/C=C/C1=CC(OC)=C(OCCC)C(OC)=C1 |
| Synonyms | 3-(3,5-dimethoxy-4-propoxyphenyl)prop-2-enoic acid,
1158111-59-1,
Z2235681419,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.293g/mol |
| Monoisotopic Mass | 266.115g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number