2-hydroxy-2-(nitromethyl)butanedioic acid
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2-hydroxy-2-(nitromethyl)butanedioic acid
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CAS No:
73491-90-4
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Formula:
C5H7NO7
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Chemical Name:
2-hydroxy-2-(nitromethyl)butanedioic acid
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Synonyms:
2-hydroxy-3-nitro-1,2-propanedicarboxylic acid;HYN-1,2-PDCA;nitrocitrate;2-hydroxy-2-(nitromethyl)butanedioic acid;73491-90-4;Nitrocitrate;Hyn-1,2-pdca;Butanedioic acid, 2-hydroxy-2-(nitromethyl)-;2-Hydroxy-3-nitro-1,2-propanedicarboxylic acid;DTXSID80994256
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CAS No:
Computed Properties
Molecular Weight:193.11
XLogP3:-1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:193.02225156
Monoisotopic Mass:193.02225156
Topological Polar Surface Area:141
Heavy Atom Count:13
Complexity:244
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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