131814-55-6
1,4-DI(BETA-PROPENOYLOXYISOFLAVONYL-7)BENZENE
Name1,4-DI(BETA-PROPENOYLOXYISOFLAVONYL-7)BENZENE
1Identification
【Name】
1,4-DI(BETA-PROPENOYLOXYISOFLAVONYL-7)BENZENE
【CAS】
【MDL】
MFCD01696238
【English Synonyms】
【Formula】
C42 H26 O8
【MolWeight】
658.659
【Inchi】
InChI=1S/C42H26O8/c43-39(49-31-17-19-33-37(23-31)47-25-35(41(33)45)29-7-3-1-4-8-29)21-15-27-11-13-28(14-12-27)16-22-40(44)50-32-18-20-34-38(24-32)48-26-36(42(34)46)30-9-5-2-6-10-30/h1-26H/b21-15+,22-16+
【InChIKey】
InChIKey=XSOZJXGOHRVJDF-YHARCJFQSA-N
【SMILES】
c1ccc(cc1)c2coc3cc(ccc3c2=O)OC(=O)/C=C/c4ccc(cc4)/C=C/C(=O)Oc5ccc6c(c5)occ(c6=O)c7ccccc7
【MOL File】
1,4-DI(BETA-PROPENOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-DI(BETA-PROPENOYLOXYISOFLAVONYL-7)BENZENE.cml