Benzenepropanoic acid, 3-fluoro-.alpha.-oxo-
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Benzenepropanoic acid, 3-fluoro-.alpha.-oxo-
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CAS No:
95041-89-7
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Formula:
C9H7FO3
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Chemical Name:
Benzenepropanoic acid, 3-fluoro-.alpha.-oxo-
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Synonyms:
6-O-Caffeoylarbutin;136172-60-6;Robutaside B;ZINC14855702;MCULE-7320911210;W1986;Benzenepropanoic acid, 3-fluoro-.alpha.-oxo-;[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate;NCGC00385077-01![(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
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CAS No:
Computed Properties
Molecular Weight:182.15
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:182.03792224
Monoisotopic Mass:182.03792224
Topological Polar Surface Area:54.4
Heavy Atom Count:13
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzenepropanoic acid, 3-fluoro-.alpha.-oxo-
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