1-(3-hydroxypropyl)-3,7-dimethylpurine-2,6-dione
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1-(3-hydroxypropyl)-3,7-dimethylpurine-2,6-dione
structure -
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CAS No:
59413-14-8
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Formula:
C10H14N4O3
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Chemical Name:
1-(3-hydroxypropyl)-3,7-dimethylpurine-2,6-dione
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Synonyms:
1-(3-hydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione; 1-(3-Hydroxy-propyl)-3,7-dimethyl-3,7-dihydro-purin-2,6-dion; 1-(3-Hydroxypropyl)-3,7-dimethylxanthine; 1-(3-Hydroxypropyl)theobromine; 1-(3-Hydroxy-propyl)-theobromin; 1H-Purine-2,6-dione,3,7-dihydro-1-(3-hydroxypropyl)-3,7-dimethyl;Expand
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CAS No:
1-(3-hydroxypropyl)-3,7-dimethylpurine-2,6-dione Basic Attributes
238.24300
238.10659032
KMM2BK7040
DTXSID60208141
Computed Properties
Molecular Weight:238.24
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:238.10659032
Monoisotopic Mass:238.10659032
Topological Polar Surface Area:78.7
Heavy Atom Count:17
Complexity:336
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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