4-(5-cyano-3-oxopentyl)benzoic acid
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4-(5-cyano-3-oxopentyl)benzoic acid
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CAS No:
142382-12-5
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Formula:
C13H13NO3
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Chemical Name:
4-(5-cyano-3-oxopentyl)benzoic acid
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Synonyms:
1-(p-Carboxyphenyl)-5-cyano-3-pentanone;142382-12-5;CCRIS 4072;4-(5-cyano-3-oxopentyl)benzoic acid;DTXSID70162028
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CAS No:
Computed Properties
Molecular Weight:231.25
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:231.08954328
Monoisotopic Mass:231.08954328
Topological Polar Surface Area:78.2
Heavy Atom Count:17
Complexity:321
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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