| CAS Number | 1099691-40-3 |
| Catalog Number | AG01AB3I |
| Chemical Name | 3-[2-(cyclopentyloxy)-3-ethoxyphenyl]prop-2-enoic acid |
| IUPAC Name | 3-(2-cyclopentyloxy-3-ethoxyphenyl)prop-2-enoic acid |
| InChI | InChI=1S/C16H20O4/c1-2-19-14-9-5-6-12(10-11-15(17)18)16(14)20-13-7-3-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,17,18) |
| InChI Key | YSXIQHFXAJEJJY-UHFFFAOYSA-N |
| MDL Number | MFCD13673640 |
| Molecular Formula | C16H20O4 |
| Molecular Weight | 276.3276 |
| SMILES | CCOC1=C(OC2CCCC2)C(C=CC(O)=O)=CC=C1 |
| Synonyms | 1099691-40-3,
AKOS016906648,
MCULE-1016258801,
3-[2-(cyclopentyloxy)-3-ethoxyphenyl]prop-2-enoic acid,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.332g/mol |
| Monoisotopic Mass | 276.136g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number