2-Heptylpropanedioic acid
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2-Heptylpropanedioic acid
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CAS No:
760-54-3
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Formula:
C10H18O4
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Chemical Name:
2-Heptylpropanedioic acid
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Synonyms:
Propanedioic acid,2-heptyl-;Malonic acid,heptyl-;Propanedioic acid,heptyl-;2-Heptylpropanedioic acid;n-Heptylmalonic acid;1,1-Octanedicarboxylic acid;NSC 3834;2-Heptyl-malonic acid;2-n-Heptyl malonic acid
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CAS No:
Description
ChEBI: A dicarboxylic acid that is malonic acid substituted with a heptyl group at position C-2.
Solid
Heptylmalonic acid is a dicarboxylic acid that is malonic acid substituted with a heptyl group at position C-2. It has a role as a metabolite. It derives from a malonic acid.
Computed Properties
Molecular Weight:202.25
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:202.12050905
Monoisotopic Mass:202.12050905
Topological Polar Surface Area:74.6
Heavy Atom Count:14
Complexity:175
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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