Entacapone 3-methyl ether
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Entacapone 3-methyl ether
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CAS No:
857629-78-8
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Formula:
C15H17N3O5
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Chemical Name:
Entacapone 3-methyl ether
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Synonyms:
2-Propenamide,2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-,(2E)-;(2E)-2-Cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenamide;Entacapone 3-methyl ether
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CAS No:
Description
ChEBI: A C-nitro compound that is entacapone in which the phenolic hydroxy group that is meta to the nitro group has been converted to the corresponding methyl ether.
3-O-methylentacapone is a C-nitro compound that is entacapone in which the phenolic hydroxy group that is meta to the nitro group has been converted into the corresponding methyl ether. It is an aromatic ether, a monocarboxylic acid amide, a nitrile and a member of 2-nitrophenols. It derives from a 5-nitrovanillin and an entacapone.
Computed Properties
Molecular Weight:319.31
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:319.11682065
Monoisotopic Mass:319.11682065
Topological Polar Surface Area:119
Heavy Atom Count:23
Complexity:515
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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