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7-ethynyl-1,3-dimethylpurine-2,6-dione

7-ethynyl-1,3-dimethylpurine-2,6-dione structure

CAS No:
65288-56-4
Formula:
C9H8N4O2
Chemical Name:
7-ethynyl-1,3-dimethylpurine-2,6-dione
Synonyms:
Purine-2,6-dione, 7-ethynyl-1,3-dimethyl-;65288-56-4;7-ethynyl-1,3-dimethylpurine-2,6-dione;7-acetenyltheophylline;DTXSID60215633

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7-ethynyl-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

204.19 g/mol

Exact Mass：

204.06472551 g/mol

DSSTox ID：

DTXSID60215633

Characteristics

PSA：

58.4 Å²

Computed Properties

Molecular Weight:204.19
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:204.06472551
Monoisotopic Mass:204.06472551
Topological Polar Surface Area:58.4
Heavy Atom Count:15
Complexity:372
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-ethynyl-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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