155814-33-8
(E)-8-(4-METHOXY-2,5-DIMETHYLSTYRYL)THEOPHYLLINE
Name(E)-8-(4-METHOXY-2,5-DIMETHYLSTYRYL)THEOPHYLLINE
1Identification
【Name】
(E)-8-(4-METHOXY-2,5-DIMETHYLSTYRYL)THEOPHYLLINE
【CAS】
【MDL】
MFCD01757861
【English Synonyms】
【Formula】
C18 H20 N4 O3
【MolWeight】
340.381
【Inchi】
InChI=1S/C18H20N4O3/c1-10-9-13(25-5)11(2)8-12(10)6-7-14-19-15-16(20-14)21(3)18(24)22(4)17(15)23/h6-9H,1-5H3,(H,19,20)/b7-6+
【InChIKey】
InChIKey=HAJJYCHOZCRMRG-VOTSOKGWSA-N
【SMILES】
Cc1cc(c(cc1OC)C)/C=C/c2[nH]c3c(n2)n(c(=O)n(c3=O)C)C
【MOL File】
(E)-8-(4-METHOXY-2,5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E)-8-(4-METHOXY-2,5-DIMETHYLSTYRYL)THEOPHYLLINE.cml