THEOBROMINE SODIUM ACETATE

CAS No.
8002-88-8
CCD No.
CCD00249813
Formula
C7 H7 N4 Na O2 . C2 H3 O2 . Na
MolWeight
284.182

Basic Information

Product Name: THEOBROMINE SODIUM ACETATE
CAS: 8002-88-8
English Synonyms: THEOBROMINE SODIUM ACETATE
MDL Number.: MFCD01743430
H bond acceptor: 6
H bond donor: 0
Smile: CC(=O)[O-].Cn1cnc2c1c(=O)n(c(=O)n2C)[Na].[Na+]
InChi: InChI=1S/C7H8N4O2.C2H4O2.2Na/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;1-2(3)4;;/h3H,1-2H3,(H,9,12,13);1H3,(H,3,4);;/q;;2*+1/p-2
InChiKey: InChIKey=BQWXDQUPYCHWGB-UHFFFAOYSA-L

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