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4-Methoxydalbergione

4-Methoxydalbergione structure

4-Methoxydalbergione 

structure
  • CAS No:

    28396-75-0

  • Formula:

    C16H14O3

  • Chemical Name:

    4-Methoxydalbergione

  • Synonyms:

    2,5-Cyclohexadiene-1,4-dione,2-methoxy-5-(1-phenyl-2-propen-1-yl)-;p-Benzoquinone,2-methoxy-5-(1-phenylallyl)-;2,5-Cyclohexadiene-1,4-dione,2-methoxy-5-(1-phenyl-2-propenyl)-;2-Methoxy-5-(1-phenyl-2-propen-1-yl)-2,5-cyclohexadiene-1,4-dione;4-Methoxydalbergione;(±)-4-(Methoxy)dalbergione;NSC 269121;2-Methoxy-5-(1-phenylallyl)cyclohexa-2,5-diene-1,4-dione;4640-26-0

4-Methoxydalbergione Basic Attributes

254.28100

254.28

629750|269121

2914690090

Characteristics

43.37000

2.56470

1.16g/cm3

109.5-111 °C

395.7ºC

175.4ºC

1.575

1.81E-06mmHg at 25°C

Drug Information

2-methoxy-5-(1-phenylallyl)-4-benzoquinone

Computed Properties

Molecular Weight:254.28
XLogP3:2.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:254.094294304
Monoisotopic Mass:254.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:19
Complexity:451
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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