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Home > Boronic Acids > 75232-51-8
75232-51-8 | Boroxin, tris(octadecyloxy)-
CAS No: 75232-51-8 Catalog No: AG008QM3 MDL No:
Product Description
Catalog Number:
AG008QM3
Chemical Name:
Boroxin, tris(octadecyloxy)-
CAS Number:
75232-51-8
Molecular Formula:
C54H111B3O6
Molecular Weight:
888.8885
IUPAC Name:
2,4,6-trioctadecoxy-1,3,5,2,4,6-trioxatriborinane
InChI:
InChI=1S/C54H111B3O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58-55-61-56(59-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)63-57(62-55)60-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
InChI Key:
GIPUZZCLWJNXQV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOB1OB(OCCCCCCCCCCCCCCCCCC)OB(O1)OCCCCCCCCCCCCCCCCCC
Properties
Complexity:
727
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
888.866g/mol
Formal Charge:
0
Heavy Atom Count:
63
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
888.906g/mol
Monoisotopic Mass:
888.866g/mol
Rotatable Bond Count:
54
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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