3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propanoic acid
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3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propanoic acid
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CAS No:
14798-30-2
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Formula:
C11H14N4O4
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Chemical Name:
3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propanoic acid
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Synonyms:
14798-30-2;NSC14114;8-caffeinepropionic acid;3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid;DTXSID10279780;ZINC1592162;NSC-14114
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CAS No:
3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propanoic acid Basic Attributes
266.25 g/mol
266.10150494 g/mol
14114
DTXSID10279780
Computed Properties
Molecular Weight:266.25
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:266.10150494
Monoisotopic Mass:266.10150494
Topological Polar Surface Area:95.7
Heavy Atom Count:19
Complexity:427
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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