Dimethyl 3,3-diacetylpentanedioate - CAS 31862-39-2
Catalog: |
BB055899 |
Product Name: |
Dimethyl 3,3-diacetylpentanedioate |
CAS: |
31862-39-2 |
Synonyms: |
Dimethyl 3,3-diacetylpentanedioate; Dimethyl3,3-diacetylpentanedioate; 3,3-Diacetylglutaric acid dimethyl ester; 1,5-DIMETHYL 3,3-DIACETYLPENTANEDIOATE |
IUPAC Name: | dimethyl 3,3-diacetylpentanedioate |
Description: | Dimethyl 3,3-diacetylpentanedioate |
Molecular Weight: | 244.24 |
Molecular Formula: | C11H16O6 |
Canonical SMILES: | CC(=O)C(CC(=O)OC)(CC(=O)OC)C(=O)C |
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 |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.09468823 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.09468823 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 86.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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