59101-07-4
4,4'-PENTADECANEDIYLDIOXYDIBENZOIC ACID
Name4,4'-PENTADECANEDIYLDIOXYDIBENZOIC ACID
1Identification
【Name】
4,4'-PENTADECANEDIYLDIOXYDIBENZOIC ACID
【CAS】
【MDL】
MFCD09751298
【English Synonyms】
【Formula】
C29 H40 O6
【MolWeight】
484.629
【Inchi】
InChI=1S/C29H40O6/c30-28(31)24-14-18-26(19-15-24)34-22-12-10-8-6-4-2-1-3-5-7-9-11-13-23-35-27-20-16-25(17-21-27)29(32)33/h14-21H,1-13,22-23H2,(H,30,31)(H,32,33)
【InChIKey】
InChIKey=FVCHWCQLRUSXMC-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)O)OCCCCCCCCCCCCCCCOc2ccc(cc2)C(=O)O
【MOL File】
4,4'-PENTADECANEDIYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4'-PENTADECANEDIYLDIOXYDIBENZOIC ACID.cml