2-Methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl α-methyl-4-(2-methylpropyl)benzeneacetate
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![2-Methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl α-methyl-4-(2-methylpropyl)benzeneacetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fa541a83fd9d4e43b369fea54c0fa681.png "2-Methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl α-methyl-4-(2-methylpropyl)benzeneacetate")
2-Methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl α-methyl-4-(2-methylpropyl)benzeneacetate
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CAS No:
302543-78-8
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Formula:
C27H33NO8
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Chemical Name:
2-Methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl α-methyl-4-(2-methylpropyl)benzeneacetate
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Synonyms:
Benzeneacetic acid,α-methyl-4-(2-methylpropyl)-,2-methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl ester;Benzeneacetic acid,α-methyl-4-(2-methylpropyl)-,2-methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propenyl]phenyl ester;2-Methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl α-methyl-4-(2-methylpropyl)benzeneacetate;NCX 2210;NO-ibuprofen
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CAS No:
2-Methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl α-methyl-4-(2-methylpropyl)benzeneacetate Basic Attributes
499.55
499.55
Computed Properties
Molecular Weight:499.6
XLogP3:6.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:15
Exact Mass:499.22061701
Monoisotopic Mass:499.22061701
Topological Polar Surface Area:117
Heavy Atom Count:36
Complexity:711
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-Methoxy-4-[(1E)-3-[4-(nitrooxy)butoxy]-3-oxo-1-propen-1-yl]phenyl α-methyl-4-(2-methylpropyl)benzeneacetate
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