Butanedioic acid, 2-cyano-3-(2-oxoethyl)-, dimethyl ester (9CI)
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Butanedioic acid, 2-cyano-3-(2-oxoethyl)-, dimethyl ester (9CI)
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CAS No:
162956-90-3
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Formula:
C9H11NO5
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Chemical Name:
Butanedioic acid, 2-cyano-3-(2-oxoethyl)-, dimethyl ester (9CI)
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Synonyms:
Butanedioic acid, 2-cyano-3-(2-oxoethyl)-, dimethyl ester (9CI)
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CAS No:
Computed Properties
Molecular Weight:213.19
XLogP3:-0.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:213.06372245
Monoisotopic Mass:213.06372245
Topological Polar Surface Area:93.5
Heavy Atom Count:15
Complexity:303
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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