(5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
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(5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
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CAS No:
28463-14-1
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Formula:
C10H16O6
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Chemical Name:
(5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
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Synonyms:
(2S,3R)-5-((E)-ethylidene)-2-hydroxy-2-hydroxymethyl-3-methyl-adipic acid; Dr-5-((E)-Aethyliden)-2rF-hydroxy-2-hydroxymethyl-3cF-methyl-adipinsaeure; Hexanedioic acid,5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methyl-,(S-(R*,S*-(E))); (2S,3R)-5-((E)-Aethyliden)-2-hydroxy-2-hydroxymethyl-3-methyl-adipinsaeure; Retronecic acid; 5-Ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid; Retronecinsaeure;Expand
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CAS No:
(5Z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid Basic Attributes
232.23000
232.09468823
2918199090
Computed Properties
Molecular Weight:232.23
XLogP3:-0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:232.09468823
Monoisotopic Mass:232.09468823
Topological Polar Surface Area:115
Heavy Atom Count:16
Complexity:308
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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