4-benzylhydroxybenzoicacid2-hydroxy-3-(theophylline-7-ol)propylester
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4-benzylhydroxybenzoicacid2-hydroxy-3-(theophylline-7-ol)propylester
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CAS No:
82502-10-1
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Formula:
C24H24N4O6
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Chemical Name:
4-benzylhydroxybenzoicacid2-hydroxy-3-(theophylline-7-ol)propylester
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Synonyms:
DIP-4-BZL;diprophyllinyl-4-benzyloxybenzoate;118421-49-1;Bahtpe;[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-hydroxy-propyl] 4-phenylmethoxybenzoate;ACMC-20deta;Benzoic acid, 4-(phenylmethoxy)-, 2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester;SCHEMBL10967060
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CAS No:
4-benzylhydroxybenzoicacid2-hydroxy-3-(theophylline-7-ol)propylester Basic Attributes
464.478
464.17
Computed Properties
Molecular Weight:464.5
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:464.16958450
Monoisotopic Mass:464.16958450
Topological Polar Surface Area:114
Heavy Atom Count:34
Complexity:737
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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