850349-64-3
3-(5-[(FLUOREN-9-YLMETHOXY)CARBONYLAMINO]PENTYLOXY)BENZOIC ACID
Name3-(5-[(FLUOREN-9-YLMETHOXY)CARBONYLAMINO]PENTYLOXY)BENZOIC ACID
1Identification
【Name】
3-(5-[(FLUOREN-9-YLMETHOXY)CARBONYLAMINO]PENTYLOXY)BENZOIC ACID
【CAS】
【MDL】
MFCD06657766
【English Synonyms】
【Formula】
C27 H27 N O5
【MolWeight】
445.512
【Inchi】
InChI=1S/C27H27NO5/c29-26(30)19-9-8-10-20(17-19)32-16-7-1-6-15-28-27(31)33-18-25-23-13-4-2-11-21(23)22-12-3-5-14-24(22)25/h2-5,8-14,17,25H,1,6-7,15-16,18H2,(H,28,31)(H,29,30)
【InChIKey】
InChIKey=PMZNNFIWEGKMRO-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)-c3ccccc3C2COC(=O)NCCCCCOc4cccc(c4)C(=O)O
【MOL File】
3-(5-[(FLUOREN-9-YLM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(5-[(FLUOREN-9-YLMETHOXY)CARBONYLAMINO]PENTYLOXY)BENZOIC ACID.cml