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Home > Encyclopedia > Benzonitrile, 4-(3-methyl-4-oxo-4H-1-benzopyran-2-yl)- (9CI)

Benzonitrile, 4-(3-methyl-4-oxo-4H-1-benzopyran-2-yl)- (9CI)

Benzonitrile, 4-(3-methyl-4-oxo-4H-1-benzopyran-2-yl)- (9CI) structure

Benzonitrile, 4-(3-methyl-4-oxo-4H-1-benzopyran-2-yl)- (9CI) 

structure
  • CAS No:

    775315-38-3

  • Formula:

    C17H11NO2

  • Chemical Name:

    Benzonitrile, 4-(3-methyl-4-oxo-4H-1-benzopyran-2-yl)- (9CI)

  • Synonyms:

    4-(3-Methyl-4-oxo-4H-chromen-2-yl)benzonitrile;HMS1715M21;ZINC2657899;AKOS027415317;MCULE-3876248475;Z57008981

Benzonitrile, 4-(3-methyl-4-oxo-4H-1-benzopyran-2-yl)- (9CI) Basic Attributes

261.27474

261.079

Characteristics

50.1

3.6

Computed Properties

Molecular Weight:261.27
XLogP3:3.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:261.078978594
Monoisotopic Mass:261.078978594
Topological Polar Surface Area:50.1
Heavy Atom Count:20
Complexity:477
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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