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Chalepensin

Chalepensin structure

Chalepensin 

structure
  • CAS No:

    13164-03-9

  • Formula:

    C16H14O3

  • Chemical Name:

    Chalepensin

  • Synonyms:

    7H-Furo[3,2-g][1]benzopyran-7-one,6-(1,1-dimethyl-2-propen-1-yl)-;7H-Furo[3,2-g][1]benzopyran-7-one,6-(1,1-dimethylallyl)-;7H-Furo[3,2-g][1]benzopyran-7-one,6-(1,1-dimethyl-2-propenyl)-;6-(1,1-Dimethyl-2-propen-1-yl)-7H-furo[3,2-g][1]benzopyran-7-one;Xylotenin;Chalepensin;3-(α,α-Dimethylallyl)psoralen;Halepensin;11000-69-4

Description

Chalepensin is a furanocoumarin.

Chalepensin Basic Attributes

254.285

254.28

DTXSID90157153

2932999099

Characteristics

39.4

4.00280

1.2214 (rough estimate)

89 °C

337.5°C (rough estimate)

190ºC

1.4500 (estimate)

Drug Information

3-(alpha,alpha-dimethylallyl)psoralen

Computed Properties

Molecular Weight:254.28
XLogP3:4.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:254.094294304
Monoisotopic Mass:254.094294304
Topological Polar Surface Area:39.4
Heavy Atom Count:19
Complexity:435
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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