2-(3-ethylhexoxycarbonyl)benzoic acid
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2-(3-ethylhexoxycarbonyl)benzoic acid
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CAS No:
106636-64-0
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Formula:
C16H22O4
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Chemical Name:
2-(3-ethylhexoxycarbonyl)benzoic acid
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Synonyms:
106636-64-0;2-{[(3-ethylhexyl)oxy]carbonyl}benzoic acid;ACMC-20couu;Mono(3-ethylhexyl) 1,2-benzenedicarboxylate;1,2-Benzenedicarboxylicacid, 1-(3-ethylhexyl) ester;1,2-Benzenedicarboxylic acid, mono(3-ethylhexyl) ester;DTXSID30910067
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CAS No:
Computed Properties
Molecular Weight:278.34
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:278.15180918
Monoisotopic Mass:278.15180918
Topological Polar Surface Area:63.6
Heavy Atom Count:20
Complexity:314
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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