magnesium;1,3-dimethyl-7H-purine-2,6-dione;2-[hydroxy(oxido)methyl]phenolate
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magnesium;1,3-dimethyl-7H-purine-2,6-dione;2-[hydroxy(oxido)methyl]phenolate
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CAS No:
77254-85-4
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Formula:
C14H14MgN4O5
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Chemical Name:
magnesium;1,3-dimethyl-7H-purine-2,6-dione;2-[hydroxy(oxido)methyl]phenolate
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Synonyms:
theophylline magnesium salicylate;theophylline magnesium salicylate pentahydrate;77254-85-4;Theophylline magnesium salicylate;DTXSID70998501;Theophylline magnesium salicylate pentahydrate;Magnesium 2-[hydroxy(oxido)methyl]phenolate--1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione (1/1/1);Magnesium, (3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione-N7,O6)(2-hydroxybenzoato(2-)-O1,O2)-, (T-4)-
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CAS No:
magnesium;1,3-dimethyl-7H-purine-2,6-dione;2-[hydroxy(oxido)methyl]phenolate Basic Attributes
342.59 g/mol
342.0814612 g/mol
Computed Properties
Molecular Weight:342.59
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:342.0814612
Monoisotopic Mass:342.0814612
Topological Polar Surface Area:136
Heavy Atom Count:24
Complexity:372
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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