3,7-Dimethyloctanoic acid
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3,7-Dimethyloctanoic acid
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CAS No:
5698-27-1
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Formula:
C10H20O2
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Chemical Name:
3,7-Dimethyloctanoic acid
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Synonyms:
Octanoic acid,3,7-dimethyl-;Caprylic acid,β,ζ-dimethyl-;3,7-Dimethyloctanoic acid;Citronellic acid,dihydro-;Geranic acid,tetrahydro-;Tetrahydrogeranic acid;(±)-3,7-Dimethyloctanoic acid;NSC 67873;57030-79-2
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CAS No:
Computed Properties
Molecular Weight:172.26
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:130
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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