rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
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rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
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CAS No:
57808-63-6
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Formula:
C13H16O3
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Chemical Name:
rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
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Synonyms:
Cyclohexanecarboxylic acid,2-hydroxy-2-phenyl-,(1R,2S)-rel-;Cyclohexanecarboxylic acid,2-hydroxy-2-phenyl-,cis-;rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid;Cicloxilic acid;Cycloxilic acid
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CAS No:
Description
Cicloxilic acid is a biologically active agent.
(1S,2R)-cicloxilic acid is a 2-hydroxy-2-phenylcyclohexanecarboxylic acid that has (1S,2R)-stereoconfiguration. It is an enantiomer of a (1R,2S)-cicloxilic acid.
rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid Basic Attributes
220.26 g/mol
220.26
260-966-6
Safety Information
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:220.26
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:220.109944368
Monoisotopic Mass:220.109944368
Topological Polar Surface Area:57.5
Heavy Atom Count:16
Complexity:258
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
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