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4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxobutanenitrile

4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxobutanenitrile structure

CAS No:
54022-58-1
Formula:
C19H17NO5
Chemical Name:
4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxobutanenitrile
Synonyms:
MLS003106452;54022-58-1;NSC157110;CHEMBL2132469;DTXSID70303176;NSC-157110;SMR001821355

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4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxobutanenitrile Basic Attributes

Molecular Weight：

339.3 g/mol

Exact Mass：

339.11067264 g/mol

NSC Number：

157110

DSSTox ID：

DTXSID70303176

Characteristics

PSA：

77.8 Å²

Computed Properties

Molecular Weight:339.3
XLogP3:2.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:339.11067264
Monoisotopic Mass:339.11067264
Topological Polar Surface Area:77.8
Heavy Atom Count:25
Complexity:515
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4-oxobutanenitrile

Basic Attributes
Characteristics
Computed Properties

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