Molecular Structure:
CAS No.:
147700-34-3
Product Name.:
CCD No.:CCD00251966
Formula:C18 H20 N4 O5 . H2 O
MolWeight:390.394
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| Product Name： | (E)-8-(3,4,5-TRIMETHOXYSTYRYL)THEOPHYLLINE HEMIHYDRATE |
| CAS： | 147700-34-3 |
| English Synonyms： | (E)-8-(3,4,5-TRIMETHOXYSTYRYL)THEOPHYLLINE HEMIHYDRATE |
| MDL Number.： | MFCD01757889 |
| H bond acceptor： | 9 |
| H bond donor： | 1 |
| Smile： | Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)/C=C/c3cc(c(c(c3)OC)OC)OC.O |
| InChi： | InChI=1S/C18H20N4O5.H2O/c1-21-16-14(17(23)22(2)18(21)24)19-13(20-16)7-6-10-8-11(25-3)15(27-5)12(9-10)26-4;/h6-9H,1-5H3,(H,19,20);1H2/b7-6+; |
| InChiKey： | InChIKey=CXAUYFVHLIOEAZ-UHDJGPCESA-N |
Basic Information
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