beta-ionylideneethanolbromoacetate
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beta-ionylideneethanolbromoacetate
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CAS No:
81112-41-6
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Formula:
C17H25BrO2
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Chemical Name:
beta-ionylideneethanolbromoacetate
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Synonyms:
beta-ionylideneethanol bromoacetate;IEBA;[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienyl] 2-bromoacetate;Acetic acid, bromo-, 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienyl ester, (E,E)-
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CAS No:
Computed Properties
Molecular Weight:341.3
XLogP3:5.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:340.10379
Monoisotopic Mass:340.10379
Topological Polar Surface Area:26.3
Heavy Atom Count:20
Complexity:442
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of beta-ionylideneethanolbromoacetate
beta-ionylideneethanolbromoacetate
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