| CAS Number | 31862-39-2 |
| Catalog Number | AG00CLSP(AGN-PC-0WOHXS) |
| Chemical Name | Dimethyl 3,3-diacetylpentanedioate |
| IUPAC Name | dimethyl 3,3-diacetylpentanedioate |
| InChI | InChI=1S/C11H16O6/c1-7(12)11(8(2)13,5-9(14)16-3)6-10(15)17-4/h5-6H2,1-4H3 |
| InChI Key | JSAWBBQOXIZJNI-UHFFFAOYSA-N |
| MDL Number | MFCD22689115 |
| Molecular Formula | C11H16O6 |
| Molecular Weight | 244.2411 |
| SMILES | COC(=O)CC(CC(=O)OC)(C(C)=O)C(O)=C |
| Synonyms | Dimethyl 3,3-diacetylpentanedioate,
31862-39-2,
dimethyl 3,3-diacetylglutarate,
KM4062,
ZINC38313781,
AKOS026673657,
3,3-Diacetylglutaric acid dimethyl ester,
CJ-19208,
CID11160885,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.243g/mol |
| Monoisotopic Mass | 244.095g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number