| CAS Number | 41589-41-7 |
| Catalog Number | AG019EPF(AGN-PC-0WCJFT) |
| Chemical Name | Propanedioic acid, 2-cyclobutylidene-, 1,3-diethyl ester |
| IUPAC Name | diethyl 2-cyclobutylidenepropanedioate |
| InChI | InChI=1S/C11H16O4/c1-3-14-10(12)9(8-6-5-7-8)11(13)15-4-2/h3-7H2,1-2H3 |
| InChI Key | SPHQMIKQDGNIAL-UHFFFAOYSA-N |
| MDL Number | MFCD22575251 |
| Molecular Formula | C11H16O4 |
| Molecular Weight | 212.2423 |
| SMILES | C(=C1CCC1)(C(=O)OCC)C(=O)OCC |
| Synonyms | diethyl 2-cyclobutylidenemalonate,
41589-41-7,
diethyl cyclobutylidenemalonate,
SCHEMBL450892,
SPHQMIKQDGNIAL-UHFFFAOYSA-N,
MFCD22575251,
ZINC34728787,
AKOS030233084,
CS-0036884,
diethyl 2-cyclobutylidenemalonate(WXC06270),
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.245g/mol |
| Monoisotopic Mass | 212.105g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number