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CAS Number: 28128-23-6
1H-purine-8-carboxylic acid

Structure

1H-purine-8-carboxylic acid
Name: 1H-purine-8-carboxylic acid
Synonyms:
General Information
Product Number: 28128236

CAS Registry Number 28128-23-6
Name:
9H-?Purine-?8-?carboxylic acid
1H-Purine-8-carboxylic acid (9CI)
Purine-8-carboxylic acid (6CI,8CI)

 

Chemical Formula: C6H4N4O2
Exact Mass: 164.03
Molecular Weight: 164.12
m/z: 164.03 (100.0%), 165.04 (6.6%), 165.03 (1.5%)

 

InChI:InChI=1S/C6H4N4O2/c11-6(12)5-9-3-1-7-2-8-4(3)10-5/h1-2H,(H,11,12)(H,7,8,9,10)

InChI Key:QAJJXAGDCARCHD-UHFFFAOYSA-N

Canonical SMILES:C1=C2C(=NC=N1)N=C(N2)C(=O)O

Specification

98%

References

U.S. Pat. Appl. Publ. (2006), US 20060135447 A1 20060622.

Acta Chimica Academiae Scientiarum Hungaricae (1970), 63(1), 53-8.

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