| CAS Number | 30219-42-2 |
| Catalog Number | AG01X5KC |
| Chemical Name | (2E)-3-(4-methoxyphenyl)pent-2-enoic acid |
| IUPAC Name | 3-(4-methoxyphenyl)pent-2-enoic acid |
| InChI | InChI=1S/C12H14O3/c1-3-9(8-12(13)14)10-4-6-11(15-2)7-5-10/h4-8H,3H2,1-2H3,(H,13,14) |
| InChI Key | PNGLWXCBVRIOPB-UHFFFAOYSA-N |
| MDL Number | MFCD09889443 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | CC/C(/C1=CC=C(OC)C=C1)=CC(O)=O |
| Synonyms | 3-(4-methoxyphenyl)pent-2-enoic acid,
21758-10-1,
AKOS030252969,
MCULE-6903431506,
Z1480642748,
3-(4-methoxy-phenyl)-pent-2-enoic acid,
(2E)-3-(4-methoxyphenyl)pent-2-enoic acid,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number