| CAS Number | 1960487-55-1 |
| Catalog Number | AG01EB35 |
| Chemical Name | 1,3-dimethyl 1,3-dimethylcyclopentane-1,3-dicarboxylate |
| IUPAC Name | dimethyl 1,3-dimethylcyclopentane-1,3-dicarboxylate |
| InChI | InChI=1S/C11H18O4/c1-10(8(12)14-3)5-6-11(2,7-10)9(13)15-4/h5-7H2,1-4H3 |
| InChI Key | APNPMNBRZOEDET-UHFFFAOYSA-N |
| MDL Number | MFCD28559200 |
| Molecular Formula | C11H18O4 |
| Molecular Weight | 214.2582 |
| SMILES | COC(=O)C1(C)CCC(C)(C1)C(=O)OC |
| Synonyms | dimethyl 1,3-dimethylcyclopentane-1,3-dicarboxylate,
SCHEMBL17893308,
CS-0062165,
1960487-55-1,
546101-12-6,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.120509g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.26g/mol |
| Monoisotopic Mass | 214.120509g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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