4-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methylamino]benzoic acid
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![4-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methylamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/32465cdab7df43f7a4744023ba21d135.png "4-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methylamino]benzoic acid")
4-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methylamino]benzoic acid
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CAS No:
6758-38-9
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Formula:
C16H17N5O4
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Chemical Name:
4-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methylamino]benzoic acid
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Synonyms:
6758-38-9;NSC81752;4-{[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]amino}benzoic acid;NCIOpen2_009121;DTXSID60292328;ZINC1627331;NSC-81752
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CAS No:
4-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methylamino]benzoic acid Basic Attributes
343.34 g/mol
343.12805404 g/mol
81752
DTXSID60292328
Computed Properties
Molecular Weight:343.34
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:343.12805404
Monoisotopic Mass:343.12805404
Topological Polar Surface Area:108
Heavy Atom Count:25
Complexity:563
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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