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Chemical structure of Isobergapten

GC39026

Isobergapten

Also known as 5-methoxyfuro[2,3-h]chromen-2-one

Isobergapten is an allelopathic inhibitor isolated from seeds of Hevacleum laciniatum

ChemicalCAS482-48-4MW216.19FormulaC12H8O4
CAS number
482-48-4
Molecular weight
216.19
Formula
C12H8O4
Solubility
DMSO ： 5·88 mg/mL (27·20 mM; ultrasonic and warming and heat to 60°C)
InChIKey
AJSPSRWWZBBIOR-UHFFFAOYSA-N
Catalogue number
GC39026
Brand
GLPBIO
Computed properties PubChem CID 68082 · XLogP 2 · TPSA 48.7 Ų · H-bond donors 0
XLogP
2
TPSA
48.7 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16

SMILES COC1=C2C=CC(=O)OC2=C3C=COC3=C1

Computed descriptors from PubChem (CID 68082), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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