| CAS Number | 39163-42-3 |
| Catalog Number | AG01C55F |
| Chemical Name | Methyl 2-Cyclopentyl-2-hydroxyacetate |
| IUPAC Name | methyl 2-cyclopentyl-2-hydroxyacetate |
| InChI | InChI=1S/C8H14O3/c1-11-8(10)7(9)6-4-2-3-5-6/h6-7,9H,2-5H2,1H3 |
| InChI Key | NZXMCCQZCPSJRU-UHFFFAOYSA-N |
| MDL Number | MFCD16693761 |
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.1950 |
| SMILES | COC(C(C1CCCC1)O)=O |
| Synonyms | methyl 2-cyclopentyl-2-hydroxyacetate,
39163-42-3,
SCHEMBL14045008,
AKOS011495701,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.197g/mol |
| Monoisotopic Mass | 158.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number