Benzoic acid, 4-(3-oxobutyl)-, ethyl ester (9CI)
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Benzoic acid, 4-(3-oxobutyl)-, ethyl ester (9CI)
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CAS No:
174666-19-4
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Formula:
C13H16O3
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Chemical Name:
Benzoic acid, 4-(3-oxobutyl)-, ethyl ester (9CI)
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Synonyms:
Ethyl 4-(3-oxobutyl)benzoate;SCHEMBL7482018;CTK8H2674;Ethyl 4-(3-oxobut-1-yl)benzoate;Ethyl 4-(3-oxobut-1-yl )benzoate;ZINC39117812;4-(3-Oxobutyl)benzoic acid ethyl ester;DA-09255;FT-0723479
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CAS No:
Computed Properties
Molecular Weight:220.26
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:220.109944368
Monoisotopic Mass:220.109944368
Topological Polar Surface Area:43.4
Heavy Atom Count:16
Complexity:240
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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