2,6-dimethylheptanoic acid
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2,6-dimethylheptanoic acid
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CAS No:
60148-94-9
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Formula:
C9H18O2
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Chemical Name:
2,6-dimethylheptanoic acid
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Synonyms:
2,6-DIMETHYLHEPTANOIC ACID;60148-94-9;7494-12-4;2,6-dimethyl-heptanoicacid;2,6-dimethyl-heptanoic acid;SCHEMBL276749;DL-2,6-dimethyl heptanoic acid;DTXSID70975574;CHEBI:143886;CC(CCCC(C)C(=O)[O])C;AKOS006285412;2,6-DIMETHYL C7:0 FATTY ACID
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CAS No:
Description
2,6-dimethylheptanoic acid is a methyl-branched chain fatty acid that is heptanoic acid substituted by a methyl group at positions 2 and 6. It has a role as a bacterial xenobiotic metabolite. It is a methyl-branched fatty acid and a medium-chain fatty acid. It is a conjugate acid of a 2,6-dimethylheptanoate.
Computed Properties
Molecular Weight:158.24
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:119
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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