| CAS Number | 1157982-27-8 |
| Catalog Number | AG018RXW(AGN-PC-0WBPZ8) |
| Chemical Name | 2-(cyclopentyloxy)butanoic acid |
| IUPAC Name | 2-cyclopentyloxybutanoic acid |
| InChI | InChI=1S/C9H16O3/c1-2-8(9(10)11)12-7-5-3-4-6-7/h7-8H,2-6H2,1H3,(H,10,11) |
| InChI Key | LGKCVIZESXEACQ-UHFFFAOYSA-N |
| MDL Number | MFCD12067173 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | CCC(C(O)=O)OC1CCCC1 |
| Synonyms | 2-(cyclopentyloxy)butanoic acid,
1157982-27-8,
AKOS009995429,
MCULE-1215336631,
NE24172,
EN300-76025,
F8881-5742,
Z1259339766,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number