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4-(2-acetyl-3-oxobut-1-enyl)benzonitrile

4-(2-acetyl-3-oxobut-1-enyl)benzonitrile structure

CAS No:
81764-99-0
Formula:
C13H11NO2
Chemical Name:
4-(2-acetyl-3-oxobut-1-enyl)benzonitrile
Synonyms:
NSC637180;4-(2-acetyl-3-oxobut-1-enyl)benzonitrile;4-(2-Acetyl-3-oxo-1-butenyl)benzonitrile;SCHEMBL231074;ZINC14898;DTXSID30327212;NSC-637180;81764-99-0;3-(4-Cyanobenzylidene)-2,4-pentanedione;4-(2-acetyl-3-oxo-but-1-enyl)benzonitrile;4-(2-Acetyl-3-oxobut-1-en-1-yl)benzonitrile

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4-(2-acetyl-3-oxobut-1-enyl)benzonitrile Basic Attributes

Molecular Weight：

213.23 g/mol

Exact Mass：

213.078978594 g/mol

NSC Number：

637180

DSSTox ID：

DTXSID30327212

Characteristics

PSA：

57.9 Å²

Computed Properties

Molecular Weight:213.23
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:213.078978594
Monoisotopic Mass:213.078978594
Topological Polar Surface Area:57.9
Heavy Atom Count:16
Complexity:349
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(2-acetyl-3-oxobut-1-enyl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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