4-pentan-2-ylbenzoic acid
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4-pentan-2-ylbenzoic acid
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CAS No:
412035-46-2
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Formula:
C12H16O2
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Chemical Name:
4-pentan-2-ylbenzoic acid
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Synonyms:
4-(pentan-2-yl)benzoic acid;4-(1-methyl-butyl)-benzoic acid;4-pentan-2-ylbenzoic acid;NSC133929;4-sec-Pentylbenzoic acid;SCHEMBL6224999;AKOS024323521;MCULE-3372746997;NSC-133929;412035-46-2
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CAS No:
Computed Properties
Molecular Weight:192.25
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:181
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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