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7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione

7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione structure

CAS No:
31542-43-5
Formula:
C8H10N4O3
Chemical Name:
7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione
Synonyms:
7-hydroxymethyl theophylline;31542-43-5;7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-7-(hydroxymethyl)-1,3-dimethyl-;7-(Hydroxymethyl)theophyline;SCHEMBL4650753;DTXSID30275688

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7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

210.19 g/mol

Exact Mass：

210.07529019 g/mol

DSSTox ID：

DTXSID30275688

Characteristics

PSA：

78.7 Å²

Computed Properties

Molecular Weight:210.19
XLogP3:-1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:210.07529019
Monoisotopic Mass:210.07529019
Topological Polar Surface Area:78.7
Heavy Atom Count:15
Complexity:308
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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