| CAS Number | 39773-76-7 |
| Catalog Number | AG003F0V(AGN-PC-0WA59W) |
| Chemical Name | 2-(Cyclopentyloxy)-2-phenylacetic acid |
| IUPAC Name | sodium;2-cyclopentyloxy-2-phenylacetate |
| InChI | InChI=1S/C13H16O3.Na/c14-13(15)12(10-6-2-1-3-7-10)16-11-8-4-5-9-11;/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15);/q;+1/p-1 |
| InChI Key | KOUDKNMFBIZXFV-UHFFFAOYSA-M |
| MDL Number | MFCD16618938 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | OC(C(C1=CC=CC=C1)OC1CCCC1)=O |
| Synonyms | 2-(Cyclopentyloxy)-2-phenylacetic acid, sodium salt,
39773-76-7,
2-(Cyclopentyloxy)-2-phenylacetic acid,sodium,
SCHEMBL14862760,
DTXSID40718657,
KOUDKNMFBIZXFV-UHFFFAOYSA-M,
MFCD16618938,
AKOS015893510,
Sodium (cyclopentyloxy)(phenyl)acetate,
sodium 2-(cyclopentyloxy)-2-phenylacetate,
B-2641,
I04-5938,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.25g/mol |
| Monoisotopic Mass | 242.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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