Alliacol B
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Alliacol B
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CAS No:
79232-33-0
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Formula:
C15H20O4
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Chemical Name:
Alliacol B
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Synonyms:
(1aR,2R,7aS,9aR)-3,4,9,9a-Tetrahydro-5-hydroxymethyl-2,9,9-trimethyl-8H-oxireno[1,7a]indeno[3a,4-b]furan-6(2H)-one; 12-Hydroxydehydroalliacolide;
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CAS No:
Computed Properties
Molecular Weight:264.32
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:264.13615911
Monoisotopic Mass:264.13615911
Topological Polar Surface Area:59.1
Heavy Atom Count:19
Complexity:520
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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