3-Cyano-4-isobutoxybenzoic acid
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3-Cyano-4-isobutoxybenzoic acid
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CAS No:
528607-60-5
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Formula:
C12H13NO3
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Chemical Name:
3-Cyano-4-isobutoxybenzoic acid
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Synonyms:
3-Cyano-4-isobutoxybenzoic acid;FeBuxostat Impurity 38
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CAS No:
Computed Properties
Molecular Weight:219.24
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:219.08954328
Monoisotopic Mass:219.08954328
Topological Polar Surface Area:70.3
Heavy Atom Count:16
Complexity:292
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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