1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylic acid

Modify Date: 2025-12-06 16:11:51

1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylic acid Structure
1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylic acid structure
Common Name 1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylic acid
CAS Number 5439-47-4 Molecular Weight 224.17400
Density 1.655g/cm3 Boiling Point 559.1ºC at 760 mmHg
Molecular Formula C8H8N4O4 Melting Point N/A
MSDS N/A Flash Point 291.9ºC

 Names

Name 1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.655g/cm3
Boiling Point 559.1ºC at 760 mmHg
Molecular Formula C8H8N4O4
Molecular Weight 224.17400
Flash Point 291.9ºC
Exact Mass 224.05500
PSA 109.98000
Index of Refraction 1.661
InChIKey CUADZKWWQWDTQE-UHFFFAOYSA-N
SMILES Cn1c(=O)c2[nH]c(C(=O)O)nc2n(C)c1=O

 Synonyms

1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylic acid
theophylline-8-carboxylic acid
8-Theophyllinecarboxylic acid
Theophyllin-carbonsaeure-(8)
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