(2S,5R)-1,4-dioxane-2,5-dicarboxylic acid
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(2S,5R)-1,4-dioxane-2,5-dicarboxylic acid
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CAS No:
6938-88-1
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Formula:
C6H8O6
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Chemical Name:
(2S,5R)-1,4-dioxane-2,5-dicarboxylic acid
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Synonyms:
trans-[1,4]dioxane-2,5-dicarboxylic acid; (2r,5s)-1,4-dioxane-2,5-dicarboxylic acid; trans-[1,4]Dioxan-2,5-dicarbonsaeure;
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CAS No:
(2S,5R)-1,4-dioxane-2,5-dicarboxylic acid Basic Attributes
176.12400
176.03208797 g/mol
53695
DTXSID90287964
Computed Properties
Molecular Weight:176.12
XLogP3:-1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:176.03208797
Monoisotopic Mass:176.03208797
Topological Polar Surface Area:93.1
Heavy Atom Count:12
Complexity:178
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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