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8-Hydroxybergapten

8-Hydroxybergapten structure

CAS No:
1603-47-0
Formula:
C12H8O5
Chemical Name:
8-Hydroxybergapten
Synonyms:
7H-Furo[3,2-g][1]benzopyran-7-one,9-hydroxy-4-methoxy-;5-Benzofuranacrylic acid,6,7-dihydroxy-4-methoxy-,δ-lactone;9-Hydroxy-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one;8-Hydroxybergapten;9-Hydroxy-4-methoxypsoralen
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2].

Solid

9-Hydroxy-4-methoxypsoralen is a member of psoralens.

8-Hydroxybergapten Basic Attributes

Molecular Weight：

232.18892

Exact Mass：

232.19

DSSTox ID：

DTXSID20166854

HScode：

2932999099

Characteristics

PSA：

72.81000

XLogP3：

0.96

Appearance：

Solid

Density：

1.484

Melting Point：

221.5-222 °C

Boiling Point：

488.2±45.0 °C(Predicted)

Flash Point：

249.1±28.7 °C

Refractive Index：

1.670

Computed Properties

Molecular Weight:232.19
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:232.03717335
Monoisotopic Mass:232.03717335
Topological Polar Surface Area:68.9
Heavy Atom Count:17
Complexity:353
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes