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8-[(E)-2-(2-Chloro-3,4-dimethoxyphenyl)vinyl]-1,3,7-trimethyl-3,7 -dihydro-1H-purine-2,6-dione

8-[(E)-2-(2-Chloro-3,4-dimethoxyphenyl)vinyl]-1,3,7-trimethyl-3,7 -dihydro-1H-purine-2,6-dione structure

CAS No:
155271-45-7
Formula:
C18H19ClN4O4
Chemical Name:
8-[(E)-2-(2-Chloro-3,4-dimethoxyphenyl)vinyl]-1,3,7-trimethyl-3,7 -dihydro-1H-purine-2,6-dione

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8-[(E)-2-(2-Chloro-3,4-dimethoxyphenyl)vinyl]-1,3,7-trimethyl-3,7 -dihydro-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

390.82100

Exact Mass：

390.1094828

Characteristics

PSA：

80.28000

XLogP3：

1.81170

Density：

1.36g/cm3

Boiling Point：

609.7ºC

Flash Point：

322.6ºC

Refractive Index：

1.622

Vapor Pressure：

8.25E-15mmHg at 25°C

Computed Properties

Molecular Weight:390.8
XLogP3:2.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:390.1094828
Monoisotopic Mass:390.1094828
Topological Polar Surface Area:76.9
Heavy Atom Count:27
Complexity:618
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-[(E)-2-(2-Chloro-3,4-dimethoxyphenyl)vinyl]-1,3,7-trimethyl-3,7 -dihydro-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties
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