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3,9-Dihydro-8-methyl-1H-purine-2,6-dione

3,9-Dihydro-8-methyl-1H-purine-2,6-dione structure

CAS No:
17338-96-4
Formula:
C6H6N4O2
Chemical Name:
3,9-Dihydro-8-methyl-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,3,9-dihydro-8-methyl-;Xanthine,8-methyl-;1H-Purine-2,6-dione,3,7-dihydro-8-methyl-;3,9-Dihydro-8-methyl-1H-purine-2,6-dione;8-Methylxanthine;NSC 162389;NSC 22739

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3,9-Dihydro-8-methyl-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

166.13700

Exact Mass：

166.14

EC Number：

241-362-1

NSC Number：

22739

DSSTox ID：

DTXSID90169610

HScode：

2933990090

Characteristics

PSA：

94.40000

XLogP3：

-0.75210

Density：

1.522g/cm3

Melting Point：

>300 °C

Refractive Index：

1.882

Computed Properties

Molecular Weight:166.14
XLogP3:-0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:166.04907545
Monoisotopic Mass:166.04907545
Topological Polar Surface Area:86.9
Heavy Atom Count:12
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,9-Dihydro-8-methyl-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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