3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione
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![3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/48e94f0b627348da8be5ee5e01893d05.png "3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione")
3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione
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CAS No:
118724-88-2
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Formula:
C13H13NO6
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Chemical Name:
3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione
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Synonyms:
3-(3-hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione;3-HMNBP;QO IA;118724-88-2;3-(3-Hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione;3-Hmnbp;QO IA;QO-IA;ACMC-1BYD3;SCHEMBL7287709;DTXSID50152220;2,4-Pentanedione,3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylene]-;3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione
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CAS No:
3-[(3-hydroxy-4-methoxy-5-nitrophenyl)methylidene]pentane-2,4-dione Basic Attributes
279.24 g/mol
279.07428713 g/mol
DTXSID50152220
Drug Information
Compounds and drugs that inhibit or block the activity of CATECHOL O-METHYLTRANSFERASE enzymes. Drugs in this class are used in management of central nervous system disorders such as PARKINSON DISEASE. (See all compounds classified as Catechol O-Methyltransferase Inhibitors.)
3-(3-hydroxy-4-methoxy-5-nitrobenzylidene)-2,4-pentanedione
Computed Properties
Molecular Weight:279.24
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:279.07428713
Monoisotopic Mass:279.07428713
Topological Polar Surface Area:109
Heavy Atom Count:20
Complexity:423
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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