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119891-47-3 | Benzene, 1,3,5-tris(dodecyloxy)-
CAS No: 119891-47-3 Catalog No: AG000PTB MDL No:
Product Description
Catalog Number:
AG000PTB
Chemical Name:
Benzene, 1,3,5-tris(dodecyloxy)-
CAS Number:
119891-47-3
Molecular Formula:
C42H78O3
Molecular Weight:
631.0669
IUPAC Name:
1,3,5-tridodecoxybenzene
InChI:
InChI=1S/C42H78O3/c1-4-7-10-13-16-19-22-25-28-31-34-43-40-37-41(44-35-32-29-26-23-20-17-14-11-8-5-2)39-42(38-40)45-36-33-30-27-24-21-18-15-12-9-6-3/h37-39H,4-36H2,1-3H3
InChI Key:
DGQYCVPNLOBSPG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cc(OCCCCCCCCCCCC)cc(c1)OCCCCCCCCCCCC
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
630.595g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
631.083g/mol
Monoisotopic Mass:
630.595g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.6
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