1-cyanobutyl benzoate
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1-cyanobutyl benzoate
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CAS No:
129803-21-0
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Formula:
C12H13NO2
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Chemical Name:
1-cyanobutyl benzoate
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Synonyms:
Benzoic acid 1-cyanobutyl ester;NSC148360;NSC-148360;129803-21-0
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CAS No:
Computed Properties
Molecular Weight:203.24
XLogP3:2.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:203.094628657
Monoisotopic Mass:203.094628657
Topological Polar Surface Area:50.1
Heavy Atom Count:15
Complexity:248
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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