Ethyl 4-Chloro-2-ethyl-3-oxobutanoate
Catalog: |
BB065770 |
Product Name: |
Ethyl 4-Chloro-2-ethyl-3-oxobutanoate |
IUPAC Name: | ethyl 4-chloro-2-ethyl-3-oxobutanoate |
Molecular Weight: | 192.64 |
Molecular Formula: | C8H13ClO3 |
Canonical SMILES: | CCC(C(=O)CCl)C(=O)OCC |
InChI: | InChI=1S/C8H13ClO3/c1-3-6(7(10)5-9)8(11)12-4-2/h6H,3-5H2,1-2H3 |
InChI Key: | VXLVJXRQJZBPJJ-UHFFFAOYSA-N |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.055322 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.055322 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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