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>> 4-[[3-(1,6-Dihydro-6-Oxo-9H-Purin-9-Yl)-1-Oxopropyl]Amino]-Benzoic Acid
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4-[[3-(1,6-Dihydro-6-Oxo-9H-Purin-9-Yl)-1-Oxopropyl]Amino]-Benzoic Acid [138117-50-7]
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Name |
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4-[[3-(1,6-Dihydro-6-Oxo-9H-Purin-9-Yl)-1-Oxopropyl]Amino]-Benzoic Acid |
Synonyms |
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4-[[1-Oxo-3-(6-Oxo-3H-Purin-9-Yl)Propyl]Amino]Benzoic Acid; 4-[3-(6-Keto-3H-Purin-9-Yl)Propanoylamino]Benzoic Acid; 4-((3-(1,6-Dihydro-6-Oxo-9H-Purin-9-Yl)-1-Oxopropyl)Amino)Benzoic Acid |
Molecular Formula |
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C15H13N5O4 |
Molecular Weight |
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327.30 |
CAS Registry Number |
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138117-50-7 |
SMILES |
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C1=NC3=C([N]1CCC(=O)NC2=CC=C(C=C2)C(=O)O)NC=NC3=O |
InChI |
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1S/C15H13N5O4/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22) |
InChIKey |
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JMPOIZCOJJMTHI-UHFFFAOYSA-N |
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Properties
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Desity |
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1.579g/cm3 (Cal.) |
Boiling point |
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825.1°C at 760 mmHg (Cal.) |
Flash point |
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452.8°C (Cal.) |
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