rel-(1R,3S)-3-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid
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rel-(1R,3S)-3-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid
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CAS No:
735269-87-1
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Formula:
C16H20O3
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Chemical Name:
rel-(1R,3S)-3-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid
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Synonyms:
Cyclohexanecarboxylic acid,3-(3,5-dimethylbenzoyl)-,(1R,3S)-rel-;rel-(1R,3S)-3-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid
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CAS No:
Computed Properties
Molecular Weight:260.33
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:260.14124450
Monoisotopic Mass:260.14124450
Topological Polar Surface Area:54.4
Heavy Atom Count:19
Complexity:340
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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