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

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

CAS No:
42204-38-6
Formula:
C8H10N4O3
Chemical Name:
8-(hydroxymethyl)-3,7-dimethylpurine-2,6-dione
Synonyms:
42204-38-6;8-(hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione;8-(hydroxymethyl)-3,7-dimethylpurine-2,6-dione;NSC114755;8-hydroxymethyltheobromine;SCHEMBL515834;DTXSID80297219;ZINC13284965;NSC-114755;DS-009250;8-(Hydroxymethyl)-3,7-dimethyl-purine-2,6-dione;8-(Hydroxymethyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione

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

Molecular Weight：

210.19 g/mol

Exact Mass：

210.07529019 g/mol

NSC Number：

114755

DSSTox ID：

DTXSID80297219

Characteristics

PSA：

87.5 Å²

Computed Properties

Molecular Weight:210.19
XLogP3:-1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:210.07529019
Monoisotopic Mass:210.07529019
Topological Polar Surface Area:87.5
Heavy Atom Count:15
Complexity:308
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-(hydroxymethyl)-3,7-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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