rel-(1R,6S)-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid
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rel-(1R,6S)-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid
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CAS No:
100459-00-5
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Formula:
C7H8O4
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Chemical Name:
rel-(1R,6S)-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid
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Synonyms:
2,4-Cyclohexadiene-1-carboxylic acid,1,6-dihydroxy-,(1R,6S)-rel-;2,4-Cyclohexadiene-1-carboxylic acid,1,6-dihydroxy-,cis-;rel-(1R,6S)-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid
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CAS No:
Description
2,3-dihydroxy-2,3-dihydrobenzoic acid is a cyclohexadienecarboxylic acid having the C=C bonds at the 1- and 3-positions, the carboxylic acid at the 1-position and two hydroxy substituents at the 5- and 6-positions. It is a cyclohexadienecarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a 2,3-dihydroxy-2,3-dihydrobenzoate.
rel-(1R,6S)-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid Basic Attributes
156.14 g/mol
156.14
DTXSID30274252
Computed Properties
Molecular Weight:156.14
XLogP3:-0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:156.04225873
Monoisotopic Mass:156.04225873
Topological Polar Surface Area:77.8
Heavy Atom Count:11
Complexity:229
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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