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Khellinone

Khellinone structure

CAS No:
484-51-5
Formula:
C12H12O5
Chemical Name:
Khellinone
Synonyms:
Ethanone,1-(6-hydroxy-4,7-dimethoxy-5-benzofuranyl)-;Ketone,6-hydroxy-4,7-dimethoxy-5-benzofuranyl methyl;Khellinone;1-(6-Hydroxy-4,7-dimethoxy-5-benzofuranyl)ethanone;6-Hydroxy-4,7-dimethoxy-5-benzofuranyl methyl ketone;5-Acetyl-4,7-dimethoxy-6-hydroxybenzofuran;4,7-Dimethoxy-5-acetyl-6-hydroxybenzofuran;1-(6-Hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)ethan-1-one

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Khellinone Basic Attributes

Molecular Weight：

236.22100

Exact Mass：

236.22

EC Number：

207-607-1

UNII：

VJ1360YWR9

DSSTox ID：

DTXSID70197512

HScode：

2932999099

Characteristics

PSA：

68.90000

XLogP3：

2.35820

Density：

1.281g/cm3

Melting Point：

90-101 °C

Boiling Point：

366.3ºC at 760mmHg

Flash Point：

175.3ºC

Refractive Index：

1.583

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36

Drug Information

MeSH Entry Terms：

5-acetyl-4,7-dimethoxy-6-hydroxybenzofuran

Computed Properties

Molecular Weight:236.22
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:236.06847348
Monoisotopic Mass:236.06847348
Topological Polar Surface Area:68.9
Heavy Atom Count:17
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Khellinone

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

Khellinone

SDS

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