5868-05-3
NICERITROL
Name
NICERITROL
Formula
C29 H24 N4 O8
MolWeight
556.529
1Identification
【Name】
NICERITROL
【CAS】
【MDL】
MFCD00215982
【English Synonyms】
【Formula】
C29 H24 N4 O8
【MolWeight】
556.529
【Inchi】
InChI=1S/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2
【InChIKey】
InChIKey=KUEUWHJGRZKESU-UHFFFAOYSA-N
【SMILES】
c1cc(cnc1)C(=O)OCC(COC(=O)c2cccnc2)(COC(=O)c3cccnc3)COC(=O)c4cccnc4
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:12
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
NICERITROL.cml
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