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Structure

7N-[1-(2-Carboxy)ethyl]allopurinol

CAS
34397-00-7
Catalog Number
ACM34397007
Category
Other Products
Molecular Weight
208.17
Molecular Formula
C8H8N4O3

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Specification

Synonyms
1,6-Dihydro-6-oxo-9H-purine-9-propanoic Acid; 9H-Hypoxanthin-9-ylpropionic Acid; NSC 79667;
IUPAC Name
3-(6-oxo-3H-purin-9-yl)propanoic acid
Canonical SMILES
C1=NC(=O)C2=C(N1)N(C=N2)CCC(=O)O
InChI Key
MKWZIJJOHBDENE-UHFFFAOYSA-N
Boiling Point
599.8ºC at 760 mmHg
Flash Point
316.5ºC
Density
1.71g/cm³
Appearance
Pale Beige Solid
Exact Mass
208.06000
H-Bond Acceptor
4
H-Bond Donor
2
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