2-octan-2-ylpropanedioic acid
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2-octan-2-ylpropanedioic acid
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CAS No:
100048-52-0
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Formula:
C11H20O4
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Chemical Name:
2-octan-2-ylpropanedioic acid
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Synonyms:
2-octan-2-ylpropanedioic acid;(1-methyl-heptyl)-malonic acid;NSC30219;SCHEMBL1042654;NSC-30219;100048-52-0
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CAS No:
Computed Properties
Molecular Weight:216.27
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:216.13615911
Monoisotopic Mass:216.13615911
Topological Polar Surface Area:74.6
Heavy Atom Count:15
Complexity:199
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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