2-(7H-purin-8-ylsulfanyl)acetic acid
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2-(7H-purin-8-ylsulfanyl)acetic acid
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CAS No:
102170-07-0
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Formula:
C7H6N4O2S
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Chemical Name:
2-(7H-purin-8-ylsulfanyl)acetic acid
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Synonyms:
NSC46031;Acetic acid, 2-(9H-purin-8-ylthio)-;Oprea1_474524;NSC-46031;102170-07-0
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CAS No:
Computed Properties
Molecular Weight:210.22
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:210.02114662
Monoisotopic Mass:210.02114662
Topological Polar Surface Area:117
Heavy Atom Count:14
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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