| CAS Number | 1509060-99-4 |
| Catalog Number | AG01BNQK |
| Chemical Name | 2-(Cyclopentylmethoxy)-2-phenylacetic acid |
| IUPAC Name | 2-(cyclopentylmethoxy)-2-phenylacetic acid |
| InChI | InChI=1S/C14H18O3/c15-14(16)13(12-8-2-1-3-9-12)17-10-11-6-4-5-7-11/h1-3,8-9,11,13H,4-7,10H2,(H,15,16) |
| InChI Key | QGFYDEYXYPGBIF-UHFFFAOYSA-N |
| MDL Number | MFCD22318373 |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.2909 |
| SMILES | OC(C(C1=CC=CC=C1)OCC1CCCC1)=O |
| Synonyms | 2-(cyclopentylmethoxy)-2-phenylacetic acid,
1509060-99-4,
AKOS015667731,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.295g/mol |
| Monoisotopic Mass | 234.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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