Benzoic acid,4-[(1,6-dihydro-6-oxo-9H-purin-9-yl)methyl]-, methyl ester

Modify Date: 2025-09-20 20:34:25

Benzoic acid,4-[(1,6-dihydro-6-oxo-9H-purin-9-yl)methyl]-, methyl ester Structure
Benzoic acid,4-[(1,6-dihydro-6-oxo-9H-purin-9-yl)methyl]-, methyl ester structure
Common Name Benzoic acid,4-[(1,6-dihydro-6-oxo-9H-purin-9-yl)methyl]-, methyl ester
CAS Number 92150-24-8 Molecular Weight 284.27000
Density 1.43g/cm3 Boiling Point 554.9ºC at 760 mmHg
Molecular Formula C14H12N4O3 Melting Point N/A
MSDS N/A Flash Point 289.4ºC

 Names

Name methyl 4-[(6-oxo-3H-purin-9-yl)methyl]benzoate

 Chemical & Physical Properties

Density 1.43g/cm3
Boiling Point 554.9ºC at 760 mmHg
Molecular Formula C14H12N4O3
Molecular Weight 284.27000
Flash Point 289.4ºC
Exact Mass 284.09100
PSA 89.87000
LogP 0.95450
Index of Refraction 1.689
InChIKey JWCBZLXTLJALKK-UHFFFAOYSA-N
SMILES COC(=O)c1ccc(Cn2cnc3c(=O)[nH]cnc32)cc1
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