| CAS Number | 1955548-59-0 |
| Catalog Number | AG01B5HN |
| Chemical Name | methyl 2-cyclopentyl-2-methoxyacetate |
| IUPAC Name | methyl 2-cyclopentyl-2-methoxyacetate |
| InChI | InChI=1S/C9H16O3/c1-11-8(9(10)12-2)7-5-3-4-6-7/h7-8H,3-6H2,1-2H3 |
| InChI Key | DFMKBOQRQGFCBQ-UHFFFAOYSA-N |
| MDL Number | MFCD30181088 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | COC(C(OC)=O)C1CCCC1 |
| Synonyms | methyl 2-cyclopentyl-2-methoxyacetate,
1955548-59-0,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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