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Home > Encyclopedia > 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid

2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid

2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid structure

2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid 

structure
  • CAS No:

    5614-56-2

  • Formula:

    C9H10N4O4

  • Chemical Name:

    2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid

  • Synonyms:

    1H-Purine-1-acetic acid,2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-;Purine-1(2H)-acetic acid,3,6-dihydro-3,7-dimethyl-2,6-dioxo-;2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid;1-Theobromineacetic acid;2-(3,7-Dimethyl-2,6-dioxopurin-1-yl)acetic acid;2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid;116378-56-4

2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid Basic Attributes

238.20000

238.20

227-034-0

6XL1I8J8NT

DTXSID50204672

2933990090

Characteristics

99.12000

-0.5

1.64g/cm3

260 °C

562.9ºC at 760mmHg

294.2ºC

0.04 M

Drug Information

3,7-dimethylxanthine-1-methanecarboxylic acid

Computed Properties

Molecular Weight:238.20
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:238.07020481
Monoisotopic Mass:238.07020481
Topological Polar Surface Area:95.7
Heavy Atom Count:17
Complexity:385
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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