7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione
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7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione
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CAS No:
78960-43-7
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Formula:
C13H19N5O4
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Chemical Name:
7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione
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Synonyms:
8-Allylamino-7-(2,3-dihydroxypropyl)theophylline; Theophylline,8-allylamino-7-(2,3-dihydroxypropyl);
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CAS No:
7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Basic Attributes
309.32100
309.14370410
Computed Properties
Molecular Weight:309.32
XLogP3:-0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:309.14370410
Monoisotopic Mass:309.14370410
Topological Polar Surface Area:111
Heavy Atom Count:22
Complexity:460
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione
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