Xanthoxyletin
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Xanthoxyletin
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CAS No:
84-99-1
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Formula:
C15H14O4
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Chemical Name:
Xanthoxyletin
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Synonyms:
2H,8H-Benzo[1,2-b:5,4-b′]dipyran-2-one,5-methoxy-8,8-dimethyl-;Xanthoxyletin;5-Methoxy-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b′]dipyran-2-one;Xanthoxylin N;2-Propenoic acid,3-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-,δ-lactone;NSC 35542
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CAS No:
Description
ChEBI: A natural product found in Clausena harmandiana.
Solid
Xanthoxyletin is a member of coumarins. It has a role as a metabolite.
Characteristics
44.8
3.64
Solid
1.2±0.1 g/cm3
133 °C
438.6±45.0 °C at 760 mmHg
197.2±28.8 °C
1.570
1.55e-04 M
Computed Properties
Molecular Weight:258.27
XLogP3:2.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:258.08920892
Monoisotopic Mass:258.08920892
Topological Polar Surface Area:44.8
Heavy Atom Count:19
Complexity:437
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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