2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid

CAS
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CAS
5439-51-0
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Purity
96%
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Catalog Number

ACM5439510

Product Name

2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid

Structure

CAS

5439-51-0

Category

Heterocyclic Organic Compound

Synonyms

Theophylline-8-acetic acid, 8-Theophyllineacetic acid, NSC 14365, CID95035, NSC14365, BRN 0264650, LS-149393, 0-26-00-00575 (Beilstein Handbook Reference), 1H-Purine-8-acetic acid, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-, 5439-51-0, 1H-Purine-8-acetic acid, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo- (9CI)

IUPAC Name

2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid

Molecular Weight

238.2 g/mol

Molecular Formula

C9H10N4O4

Canonical SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC(=O)O

InChI Key

ROGKZDYGTGQMHE-UHFFFAOYSA-N

Boiling Point

606.8ºC at 760 mmHg