(3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
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(3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
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CAS No:
65718-85-6
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Formula:
C13H14O6
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Chemical Name:
(3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
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Synonyms:
dihydrocitrinone;Dihydrocitrinone;UNII-9I8K50016V;65718-85-6;9I8K50016V;(3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid;CHEMBL465858;MEGxm0_000092;ACon0_000322;ACon1_001305;DTXSID10215926;ZINC6069169;MCULE-8441610846;NCGC00180648-01;BRD-K21191814-001-01-1;Q27272591;1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-, (3R-trans)-;NCGC00180648-02!(3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
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CAS No:
(3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid Basic Attributes
266.25 g/mol
266.07903816 g/mol
9I8K50016V
DTXSID10215926
Computed Properties
Molecular Weight:266.25
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:266.07903816
Monoisotopic Mass:266.07903816
Topological Polar Surface Area:104
Heavy Atom Count:19
Complexity:395
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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