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3,9-Dimethylxanthine

3,9-Dimethylxanthine structure

CAS No:
15837-08-8
Formula:
C7H8N4O2
Chemical Name:
3,9-Dimethylxanthine
Synonyms:
1H-Purine-2,6-dione,3,9-dihydro-3,9-dimethyl-;Xanthine,3,9-dimethyl-;3,9-Dihydro-3,9-dimethyl-1H-purine-2,6-dione;3,9-Dimethylxanthine;3,9-Dimethyl-1H-purine-2,6(3H,9H)-dione

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3,9-Dimethylxanthine Basic Attributes

Molecular Weight：

180.16 g/mol

Exact Mass：

180.16

EC Number：

239-942-4

DSSTox ID：

DTXSID20166410

Characteristics

PSA：

67.2 Å²

Melting Point：

350 °C (decomp)

Computed Properties

Molecular Weight:180.16
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:180.06472551
Monoisotopic Mass:180.06472551
Topological Polar Surface Area:67.2
Heavy Atom Count:13
Complexity:267
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,9-Dimethylxanthine

Basic Attributes
Characteristics
Computed Properties

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