Ethyl 2-acetoxy-2-methylacetoacetate - CAS 25409-39-6
Catalog: |
BB018904 |
Product Name: |
Ethyl 2-acetoxy-2-methylacetoacetate |
CAS: |
25409-39-6 |
Synonyms: |
ethyl 2-acetyloxy-2-methyl-3-oxobutanoate |
IUPAC Name: | ethyl 2-acetyloxy-2-methyl-3-oxobutanoate |
Description: | Ethyl 2-acetoxy-2-methylacetoacetate (CAS# 25409-39-6 ) is a useful research chemical. |
Molecular Weight: | 202.20 |
Molecular Formula: | C9H14O5 |
Canonical SMILES: | CCOC(=O)C(C)(C(=O)C)OC(=O)C |
InChI: | InChI=1S/C9H14O5/c1-5-13-8(12)9(4,6(2)10)14-7(3)11/h5H2,1-4H3 |
InChI Key: | RHFWCEYBHLGCKH-UHFFFAOYSA-N |
Boiling Point: | 257.1 ℃ at 760 mmHg |
Density: | 1.115 g/cm3 |
MDL: | MFCD00009127 |
LogP: | 0.46030 |
Publication Number | Title | Priority Date |
WO-2021178805-A1 | Novel nkr variants for increased production of isobutanol | 20200306 |
KR-101960501-B1 | New ketol-acid reductoisomerase with a cofactor preference to NADH developed | 20170915 |
EP-3512941-A1 | Acetolactate decarboxylase variants having improved specific activity | 20160916 |
WO-2018050649-A1 | Acetolactate decarboxylase variants having improved specific activity | 20160916 |
EP-3512941-B1 | Acetolactate decarboxylase variants having improved specific activity | 20160916 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.08412354 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 69.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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