8-(1-hydroxyethyl)-1,3,7-trimethylpurine-2,6-dione
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8-(1-hydroxyethyl)-1,3,7-trimethylpurine-2,6-dione
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CAS No:
32086-89-8
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Formula:
C10H14N4O3
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Chemical Name:
8-(1-hydroxyethyl)-1,3,7-trimethylpurine-2,6-dione
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Synonyms:
MLS000738124;32086-89-8;NSC36520;8-(1-hydroxyethyl)-1,3,7-trimethylpurine-2,6-dione;8-(1-hydroxyethyl)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione;8-alpha-hydroxyethylcaffeine;CHEMBL1445610;SCHEMBL11826628;DTXSID40284281;HMS2764I11;NSC-36520;SMR000393887;J3.572.996H
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CAS No:
8-(1-hydroxyethyl)-1,3,7-trimethylpurine-2,6-dione Basic Attributes
238.24 g/mol
238.10659032 g/mol
36520
DTXSID40284281
Computed Properties
Molecular Weight:238.24
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:238.10659032
Monoisotopic Mass:238.10659032
Topological Polar Surface Area:78.7
Heavy Atom Count:17
Complexity:362
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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