1,4-Diethyl α1,α4-dicyano-2,5-dihydroxy-1,4-benzenediacetate
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1,4-Diethyl α1,α4-dicyano-2,5-dihydroxy-1,4-benzenediacetate
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CAS No:
57271-90-6
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Formula:
C16H16N2O6
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Chemical Name:
1,4-Diethyl α1,α4-dicyano-2,5-dihydroxy-1,4-benzenediacetate
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Synonyms:
1,4-Benzenediacetic acid,α1,α4-dicyano-2,5-dihydroxy-,1,4-diethyl ester;1,4-Benzenediacetic acid,α,α′-dicyano-2,5-dihydroxy-,diethyl ester;1,4-Diethyl α1,α4-dicyano-2,5-dihydroxy-1,4-benzenediacetate;Diethyl(α,α′-dicyano-2,5-dihydroxy)-p-benzenediacetate;NSC 78843;2-Cyano-2-[4-(1-cyano-2-ethoxy-2-oxoethyl)-2,5-dihydroxyphenyl]acetic acid ethyl ester
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CAS No:
1,4-Diethyl α1,α4-dicyano-2,5-dihydroxy-1,4-benzenediacetate Basic Attributes
332.30800
332.31
78843
DTXSID60291876
Computed Properties
Molecular Weight:332.31
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:332.10083623
Monoisotopic Mass:332.10083623
Topological Polar Surface Area:141
Heavy Atom Count:24
Complexity:509
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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