| CAS Number | 76731-17-4 |
| Catalog Number | AG01EIFD |
| Chemical Name | 1,3-diethyl 2-cyclobutylpropanedioate |
| IUPAC Name | diethyl 2-cyclobutylpropanedioate |
| InChI | InChI=1S/C11H18O4/c1-3-14-10(12)9(8-6-5-7-8)11(13)15-4-2/h8-9H,3-7H2,1-2H3 |
| InChI Key | ZULXCGVXEGQINO-UHFFFAOYSA-N |
| MDL Number | MFCD28122733 |
| Molecular Formula | C11H18O4 |
| Molecular Weight | 214.2582 |
| SMILES | CCOC(C(C(OCC)=O)C1CCC1)=O |
| Synonyms | diethyl cyclobutylmalonate,
SCHEMBL9451713,
ZULXCGVXEGQINO-UHFFFAOYSA-N,
1,3-diethyl 2-cyclobutylpropanedioate,
ZINC142054198,
2-Cyclobutyl-malonic acid diethyl ester,
76731-17-4,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.261g/mol |
| Monoisotopic Mass | 214.121g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number