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6,7,8-Trimethoxycoumarin

6,7,8-Trimethoxycoumarin structure

CAS No:
6035-49-0
Formula:
C12H12O5
Chemical Name:
6,7,8-Trimethoxycoumarin
Synonyms:
2H-1-Benzopyran-2-one,6,7,8-trimethoxy-;Coumarin,6,7,8-trimethoxy-;6,7,8-Trimethoxy-2H-1-benzopyran-2-one;Fraxetin dimethyl ether;6,7,8-Trimethoxycoumarin;7,8,9-Trimethoxycoumarin
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM.

6,7,8-trimethoxy-1-benzopyran-2-one is a member of coumarins.

6,7,8-Trimethoxycoumarin Basic Attributes

Molecular Weight：

236.22

Exact Mass：

236.22

DSSTox ID：

DTXSID00209112

HScode：

2932209090

Characteristics

PSA：

XLogP3：

1.75

Density：

1.249

Melting Point：

104-105 °C

Boiling Point：

408.0±45.0 °C at 760 mmHg

Flash Point：

184.3±28.8 °C

Refractive Index：

1.545

Safety Information

hazard class code：

safety instructions：

22-45

Drug Information

MeSH Entry Terms：

6,7,8-trimethoxycoumarin

Computed Properties

Molecular Weight:236.22
XLogP3:1.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:236.06847348
Monoisotopic Mass:236.06847348
Topological Polar Surface Area:54
Heavy Atom Count:17
Complexity:314
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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