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2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetaldehyde

2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetaldehyde structure

CAS No:
111038-29-0
Formula:
C9H9BrN4O3
Chemical Name:
2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetaldehyde
Synonyms:
BRN 5586577;8-Bromotheophyllinyl-7-acetaldehyde;7H-Purine-7-acetaldehyde, 1,2,3,6-tetrahydro-8-bromo-1,3-dimethyl-2,6-dioxo-;1,2,3,6-Tetrahydro-8-bromo-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetaldehyde;7H-Purine-7-acetaldehyde,8-bromo-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-;ACMC-1BNKU;Oprea1_513892;CTK4A7146;DTXSID60149449;LS-126417

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2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetaldehyde Basic Attributes

Molecular Weight：

301.1

Exact Mass：

299.986

DSSTox ID：

DTXSID60149449

Characteristics

PSA：

75.5

XLogP3：

0.2

Density：

1.87±0.1 g/cm3(Predicted)

Melting Point：

189-191 °C

Boiling Point：

484.6±55.0 °C(Predicted)

Computed Properties

Molecular Weight:301.10
XLogP3:0.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:299.98580
Monoisotopic Mass:299.98580
Topological Polar Surface Area:75.5
Heavy Atom Count:17
Complexity:377
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetaldehyde

Basic Attributes
Characteristics
Computed Properties

2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetaldehyde

SDS

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