rel-(1R,3R,4S)-3,4-Dihydroxycyclohexanecarboxylic acid
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rel-(1R,3R,4S)-3,4-Dihydroxycyclohexanecarboxylic acid
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CAS No:
31540-11-1
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Formula:
C7H12O4
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Chemical Name:
rel-(1R,3R,4S)-3,4-Dihydroxycyclohexanecarboxylic acid
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Synonyms:
Cyclohexanecarboxylic acid,3,4-dihydroxy-,(1R,3R,4S)-rel-;Cyclohexanecarboxylic acid,3,4-dihydroxy-,cis-1,3,cis-1,4-;Cyclohexanecarboxylic acid,3,4-dihydroxy-,(1α,3α,4α)-;rel-(1R,3R,4S)-3,4-Dihydroxycyclohexanecarboxylic acid;cis,cis-3,4-Dihydroxycyclohexanecarboxylate
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CAS No:
Computed Properties
Molecular Weight:160.17
XLogP3:-0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:160.07355886
Monoisotopic Mass:160.07355886
Topological Polar Surface Area:77.8
Heavy Atom Count:11
Complexity:157
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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