XCC ,96865-83-7 _Chemical Cloud Database

XCC

Basic Information
Product Name：	XCC
CAS：	96865-83-7
English Synonyms：	2-[4-(2,6-DIOXO-1,3-DIPROPYL-7H-PURIN-8-YL)PHENOXY]ACETIC ACID ; XCC
MDL Number.：	MFCD19690956
H bond acceptor：	9
H bond donor：	2
Smile：	CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)c3ccc(cc3)OCC(=O)O
InChi：	InChI=1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)
InChiKey：	InChIKey=QTMMGCYGCFXBFI-UHFFFAOYSA-N

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