((E)-But-2-enyl)malonic Acid Dimethyl Ester - CAS 82545-71-9
Catalog: |
BB062217 |
Product Name: |
((E)-But-2-enyl)malonic Acid Dimethyl Ester |
CAS: |
82545-71-9 |
Synonyms: |
1,3-dimethyl 2-(but-2-en-1-yl)propanedioate |
IUPAC Name: | dimethyl 2-but-2-enylpropanedioate |
Description: | ((E)-But-2-enyl)malonic Acid Dimethyl Ester is a reagent in the rhodium-catalyzed synthesis of enones as well as the synthesis of functionalized cyclopentanes. |
Molecular Weight: | 186.21 |
Molecular Formula: | C9H14O4 |
Canonical SMILES: | CC=CCC(C(=O)OC)C(=O)OC |
InChI: | InChI=1S/C9H14O4/c1-4-5-6-7(8(10)12-2)9(11)13-3/h4-5,7H,6H2,1-3H3 |
InChI Key: | JFDGGUKORQBGCJ-UHFFFAOYSA-N |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.08920892 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 1.5 |
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