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Home > Product > Heterocyclic Organic Compounds > 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid

2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid | CAS Number: 5439-51-0

Catalog Number
ACM5439510
Product Name
2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid
Structure
CAS Number
5439-51-0
IUPAC Name
2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid
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)
Molecular Weight
238.2 g/mol
Exact Mass
238.07000
Molecular Formula
C9H10N4O4
Boiling Point
606.8ºC at 760 mmHg
Flash Point
320.8ºC
Density
1.584g/cm3
Purity
96%
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC(=O)O
InChIKey
ROGKZDYGTGQMHE-UHFFFAOYSA-N
H-Bond Donor
2
H-Bond Acceptor
5
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