(3S)-3-benzoyloxy-4-cyanobutanoic acid
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(3S)-3-benzoyloxy-4-cyanobutanoic acid
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CAS No:
138145-61-6
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Formula:
C12H11NO4
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Chemical Name:
(3S)-3-benzoyloxy-4-cyanobutanoic acid
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Synonyms:
3-benzoyloxy-4-cyanobutanoic acid;138145-61-6;GKWZKZVNTLJRFP-JTQLQIEISA-;DTXSID70929996;3-(BENZOYLOXY)-4-CYANOBUTANOIC ACID
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CAS No:
Computed Properties
Molecular Weight:233.22
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:233.06880783
Monoisotopic Mass:233.06880783
Topological Polar Surface Area:87.4
Heavy Atom Count:17
Complexity:325
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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