THEOPHYLLOL ,8002-89-9 _Chemical Cloud Database

THEOPHYLLOL

Basic Information
Product Name：	THEOPHYLLOL
CAS：	8002-89-9
English Synonyms：	THEOPHYLLINE SODIUM ACETATE ; THEOPHYLLOL
MDL Number.：	MFCD00145398
H bond acceptor：	6
H bond donor：	0
Smile：	CC(=O)[O-].Cn1c2c(c(=O)n(c1=O)C)n(cn2)[Na].[Na+]
InChi：	InChI=1S/C7H8N4O2.C2H4O2.2Na/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-2(3)4;;/h3H,1-2H3,(H,8,9,12);1H3,(H,3,4);;/q;;2*+1/p-2
InChiKey：	InChIKey=DCJGJEZFCWRDSY-UHFFFAOYSA-L
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