Isobergapten
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Isobergapten
structure -
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CAS No:
482-48-4
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Formula:
C12H8O4
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Chemical Name:
Isobergapten
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Synonyms:
2H-Furo[2,3-h]-1-benzopyran-2-one,5-methoxy-;Isobergapten;5-Benzofuranacrylic acid,4-hydroxy-6-methoxy-,δ-lactone;5-Methoxy-2H-furo[2,3-h]-1-benzopyran-2-one;Isobergaptene;5-Methoxyangelicin
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CAS No:
Description
Isobergapten is an allelopathic inhibitor isolated from seeds of Hevacleum laciniatum[1].
Isobergapten is a furanocoumarin.
Characteristics
48.7
2.34
1.368
222 °C
412.4±45.0 °C at 760 mmHg
203.2±28.7 °C
1.635
5.2E-07mmHg at 25°C
139.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Computed Properties
Molecular Weight:216.19
XLogP3:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:216.04225873
Monoisotopic Mass:216.04225873
Topological Polar Surface Area:48.7
Heavy Atom Count:16
Complexity:325
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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