2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetic acid
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2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetic acid
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CAS No:
5614-58-4
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Formula:
C10H12N4O4
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Chemical Name:
2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetic acid
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Synonyms:
5614-58-4;8-Caffeineacetic acid;(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)acetic acid;2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetic acid;SCHEMBL3802254;DTXSID70279867;NSC14371;NSC-14371;2-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)acetic acid
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CAS No:
2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetic acid Basic Attributes
252.23 g/mol
252.08585488 g/mol
14371
DTXSID70279867
Computed Properties
Molecular Weight:252.23
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:252.08585488
Monoisotopic Mass:252.08585488
Topological Polar Surface Area:95.7
Heavy Atom Count:18
Complexity:413
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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