54812-39-4
4,4'-DIMETHYL-1,1'-BIPHENYL-2,2',3,3',6,6'-HEXOL HEXAACETATE
Name4,4'-DIMETHYL-1,1'-BIPHENYL-2,2',3,3',6,6'-HEXOL HEXAACETATE
1Identification
【Name】
4,4'-DIMETHYL-1,1'-BIPHENYL-2,2',3,3',6,6'-HEXOL HEXAACETATE
【CAS】
【MDL】
MFCD21608956
【English Synonyms】
【Formula】
C26 H26 O12
【MolWeight】
530.479
【Inchi】
InChI=1S/C26H26O12/c1-11-9-19(33-13(3)27)21(25(37-17(7)31)23(11)35-15(5)29)22-20(34-14(4)28)10-12(2)24(36-16(6)30)26(22)38-18(8)32/h9-10H,1-8H3
【InChIKey】
InChIKey=RPFYGLHNFXIHJJ-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1OC(=O)C)OC(=O)C)c2c(cc(c(c2OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C
【MOL File】
4,4'-DIMETHYL-1,1'-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:12
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4'-DIMETHYL-1,1'-BIPHENYL-2,2',3,3',6,6'-HEXOL HEXAACETATE.cml