| CAS Number | 64471-47-2 |
| Catalog Number | AG01F3BE(AGN-PC-0TCNG2) |
| Chemical Name | (R)-Methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate |
| IUPAC Name | methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate |
| InChI | InChI=1S/C14H18O3/c1-17-13(15)14(16,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-4,7-8,12,16H,5-6,9-10H2,1H3/t14-/m0/s1 |
| InChI Key | FGMUSNHTKNGVQD-AWEZNQCLSA-N |
| MDL Number | MFCD29060214 |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.2909 |
| SMILES | COC([C@](O)(C1C=CC=CC=1)C1CCCC1)=O |
| UNII | 4A4K58ZTT0 |
| Synonyms | UNII-4A4K58ZTT0,
64471-47-2,
Methyl cyclopentylmandelate, (-)-,
4A4K58ZTT0,
(R)-Methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate,
methyl (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate,
SCHEMBL522945,
DTXSID30214734,
ZINC1609508,
Methyl (R)-(-)-cyclopentylmandelate,
AKOS027445589,
AJ-28199,
CJ-05758,
UNII-QUE5YDO74D component FGMUSNHTKNGVQD-AWEZNQCLSA-N,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number