α-Ethylcyanoacetic acid
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α-Ethylcyanoacetic acid
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CAS No:
51789-75-4
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Formula:
C5H7NO2
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Chemical Name:
α-Ethylcyanoacetic acid
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Synonyms:
2-Cyanobutanoic acid;α-Ethylcyanoacetic acid;1-Cyanopropane-1-carboxylic acid;2-Cyano-butyric acid
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CAS No:
Computed Properties
Molecular Weight:113.11
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:113.047678466
Monoisotopic Mass:113.047678466
Topological Polar Surface Area:61.1
Heavy Atom Count:8
Complexity:133
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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