| CAS Number | 5621-43-2 |
| Catalog Number | AG00E176(AGN-PC-0NI29D) |
| Chemical Name | 1,5-Diethyl 2-methylidenepentanedioate |
| IUPAC Name | diethyl 2-methylidenepentanedioate |
| InChI | InChI=1S/C10H16O4/c1-4-13-9(11)7-6-8(3)10(12)14-5-2/h3-7H2,1-2H3 |
| InChI Key | CYWQFUQJVLRILO-UHFFFAOYSA-N |
| MDL Number | MFCD28650688 |
| Molecular Formula | C10H16O4 |
| Molecular Weight | 200.2316 |
| SMILES | CCOC(CCC(C(OCC)=O)=C)=O |
| Synonyms | 5621-43-2,
Pentanedioic acid, 2-methylene-, diethyl ester,
2-Methyleneglutaric acid diethyl ester,
diethyl 2-methylidenepentanedioate,
diethyl alpha-methyleneglutarate,
SCHEMBL4869440,
CTK1F5073,
DTXSID70480173,
CYWQFUQJVLRILO-UHFFFAOYSA-N,
ZINC38886586,
1,5-DIETHYL 2-METHYLIDENEPENTANEDIOATE,
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| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.234g/mol |
| Monoisotopic Mass | 200.105g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number