beta-ionylbromoacetate
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beta-ionylbromoacetate
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CAS No:
81112-42-7
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Formula:
C15H23BrO2
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Chemical Name:
beta-ionylbromoacetate
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Synonyms:
beta-IBA;beta-ionylbromoacetate;Acetic acid, bromo-, 1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-propenyl ester, (E)-
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CAS No:
Computed Properties
Molecular Weight:315.25
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:314.08814
Monoisotopic Mass:314.08814
Topological Polar Surface Area:26.3
Heavy Atom Count:18
Complexity:367
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes