12-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)dodeca-2,7-diynoic acid
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12-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)dodeca-2,7-diynoic acid
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CAS No:
90316-11-3
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Formula:
C21H24O4
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Chemical Name:
12-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)dodeca-2,7-diynoic acid
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Synonyms:
2,3,5-trimethyl-6-(11-carboxy-5,10-undecadiynyl)-1,4-benzoquinone;AA 1777;AA-1777;AA 1777;90316-11-3;A1777;2,7-Dodecadiynoic acid, 12-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-;AA-1777;2,3,5-Trimethyl-6-(11-carboxy-5,10-undecadiynyl)-1,4-benzoquinone;12-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)dodeca-2,7-diynoic acid;SCHEMBL9019294;DTXSID60238089;6-(11-Carboxyundeca-5,10-diyn-1-yl)-2,3,5-trimethyl-1,4-benzoquinone
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CAS No:
12-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)dodeca-2,7-diynoic acid Basic Attributes
340.4 g/mol
340.16745924 g/mol
DTXSID60238089
Computed Properties
Molecular Weight:340.4
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:340.16745924
Monoisotopic Mass:340.16745924
Topological Polar Surface Area:71.4
Heavy Atom Count:25
Complexity:766
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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