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87969-78-6 | Benzene, 1,3,5-tris(decyl)-
CAS No: 87969-78-6 Catalog No: AG004E81 MDL No:
Product Description
Catalog Number:
AG004E81
Chemical Name:
Benzene, 1,3,5-tris(decyl)-
CAS Number:
87969-78-6
Molecular Formula:
C36H66
Molecular Weight:
498.9092
IUPAC Name:
1,3,5-tris-decylbenzene
InChI:
InChI=1S/C36H66/c1-4-7-10-13-16-19-22-25-28-34-31-35(29-26-23-20-17-14-11-8-5-2)33-36(32-34)30-27-24-21-18-15-12-9-6-3/h31-33H,4-30H2,1-3H3
InChI Key:
AOAWQLLSWYMIJG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1cc(CCCCCCCCCC)cc(c1)CCCCCCCCCC
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.516g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.924g/mol
Monoisotopic Mass:
498.516g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.3
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