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1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;iodide

1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;iodide structure

CAS No:
17135-90-9
Formula:
C8H11IN4O2
Chemical Name:
1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;iodide
Synonyms:
Caffeine, hydriodide;Caffeine hydroiodide;CAFFEINE, MONOHYDRIODIDE;17135-90-9

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1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;iodide Basic Attributes

Molecular Weight：

322.10 g/mol

Exact Mass：

321.99267 g/mol

Characteristics

PSA：

57.4 Å²

Computed Properties

Molecular Weight:322.10
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:321.99267
Monoisotopic Mass:321.99267
Topological Polar Surface Area:57.4
Heavy Atom Count:15
Complexity:385
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;iodide

Basic Attributes
Characteristics
Computed Properties

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