3-O-Methyl Tolcapone
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3-O-Methyl Tolcapone
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CAS No:
134612-80-9
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Formula:
C17H17NO5
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Chemical Name:
3-O-Methyl Tolcapone
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Synonyms:
(4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone; 1-(4-Hydroxy-3-methoxy-5-nitrophenyl)-3-(p-tolyl)propan-2-one;
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CAS No:
3-O-Methyl Tolcapone Basic Attributes
315.32100
287.07937252 g/mol
F90Q84HN93
DTXSID30158826
2914700090
Computed Properties
Molecular Weight:287.27
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:287.07937252
Monoisotopic Mass:287.07937252
Topological Polar Surface Area:92.4
Heavy Atom Count:21
Complexity:386
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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