| CAS Number | 36450-60-9 |
| Catalog Number | AG01DWDP |
| Chemical Name | 2-cyclopentyl-2-(2-methylphenyl)acetic acid |
| IUPAC Name | 2-cyclopentyl-2-(2-methylphenyl)acetic acid |
| InChI | InChI=1S/C14H18O2/c1-10-6-2-5-9-12(10)13(14(15)16)11-7-3-4-8-11/h2,5-6,9,11,13H,3-4,7-8H2,1H3,(H,15,16) |
| InChI Key | PTWZGQXYXMSQPO-UHFFFAOYSA-N |
| MDL Number | MFCD14529546 |
| Molecular Formula | C14H18O2 |
| Molecular Weight | 218.2915 |
| SMILES | CC1=C(C(C(O)=O)C2CCCC2)C=CC=C1 |
| Synonyms | 2-cyclopentyl-2-(o-tolyl)acetic acid,
36450-60-9,
AKOS017560295,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.296g/mol |
| Monoisotopic Mass | 218.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number