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3,7-Dihydro-1,3-dimethyl-7-[2-(2,4,6-triiodophenoxy)ethyl]-1H-purine-2,6-dione

3,7-Dihydro-1,3-dimethyl-7-[2-(2,4,6-triiodophenoxy)ethyl]-1H-purine-2,6-dione structure

CAS No:
5878-62-6
Formula:
C15H13I3N4O3
Chemical Name:
3,7-Dihydro-1,3-dimethyl-7-[2-(2,4,6-triiodophenoxy)ethyl]-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-[2-(2,4,6-triiodophenoxy)ethyl]-;Theophylline,7-[2-(2,4,6-triiodophenoxy)ethyl]-;3,7-Dihydro-1,3-dimethyl-7-[2-(2,4,6-triiodophenoxy)ethyl]-1H-purine-2,6-dione

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3,7-Dihydro-1,3-dimethyl-7-[2-(2,4,6-triiodophenoxy)ethyl]-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

252.22300

Exact Mass：

678.00

DSSTox ID：

DTXSID10358084

HScode：

2933990090

Characteristics

PSA：

104.71000

XLogP3：

1.79000

Density：

1.306g/cm3

Melting Point：

222 °C

Boiling Point：

446.7ºC

Flash Point：

223.9ºC

Refractive Index：

1.551

Computed Properties

Molecular Weight:252.22
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:252.07462149
Monoisotopic Mass:252.07462149
Topological Polar Surface Area:101
Heavy Atom Count:18
Complexity:326
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,7-Dihydro-1,3-dimethyl-7-[2-(2,4,6-triiodophenoxy)ethyl]-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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