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8-bromo-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione

8-bromo-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione structure

CAS No:
101072-01-9
Formula:
C9H9BrN4O3
Chemical Name:
8-bromo-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-oxopropyl)-;8-bromo-3-methyl-7-(2-oxopropyl)-1H-purine-2,6(3H,7H)-dione;ACMC-20m44i;CTK0D9794;DTXSID70353459;ZINC180714;STK867886;AKOS000578654;MCULE-4545332255;ST50234557

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8-bromo-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

301.1

Exact Mass：

299.986

DSSTox ID：

DTXSID70353459

Characteristics

PSA：

84.3

XLogP3：

0.3

Density：

1.95±0.1 g/cm3(Predicted)

Melting Point：

265-266 °C

Computed Properties

Molecular Weight:301.10
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:299.98580
Monoisotopic Mass:299.98580
Topological Polar Surface Area:84.3
Heavy Atom Count:17
Complexity:388
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-bromo-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

8-bromo-3-methyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione

SDS

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