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7,8-Dimethoxycoumarin

7,8-Dimethoxycoumarin structure

CAS No:
2445-80-9
Formula:
C11H10O4
Chemical Name:
7,8-Dimethoxycoumarin
Synonyms:
2H-1-Benzopyran-2-one,7,8-dimethoxy-;Coumarin,7,8-dimethoxy-;7,8-Dimethoxy-2H-1-benzopyran-2-one;Daphnetin dimethyl ether;7,8-Dimethoxycoumarin
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

7,8-Dimethoxycoumarin (Daphnetin dimethyl ether) is a coumarin from Artemisia caruifolia[1].

7,8-Dimethoxycoumarin Basic Attributes

Molecular Weight：

206.197

Exact Mass：

206.19

DSSTox ID：

DTXSID70179212

HScode：

2932209090

Characteristics

PSA：

44.8

XLogP3：

2.04

Density：

1.2±0.1 g/cm3

Melting Point：

118-119 °C

Boiling Point：

370.9±42.0 °C at 760 mmHg

Flash Point：

167.6±27.9 °C

Refractive Index：

1.557

Vapor Pressure：

1.07E-05mmHg at 25°C

Drug Information

MeSH Entry Terms：

7,8-dimethoxycoumarin

Computed Properties

Molecular Weight:206.19
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:206.05790880
Monoisotopic Mass:206.05790880
Topological Polar Surface Area:44.8
Heavy Atom Count:15
Complexity:274
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes