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87969-86-6 | Benzene, 1,3-didecyl-5-hexyl-
CAS No: 87969-86-6 Catalog No: AG004D23 MDL No:
Product Description
Catalog Number:
AG004D23
Chemical Name:
Benzene, 1,3-didecyl-5-hexyl-
CAS Number:
87969-86-6
Molecular Formula:
C32H58
Molecular Weight:
442.8029
IUPAC Name:
1,3-didecyl-5-hexylbenzene
InChI:
InChI=1S/C32H58/c1-4-7-10-13-15-17-19-22-25-31-27-30(24-21-12-9-6-3)28-32(29-31)26-23-20-18-16-14-11-8-5-2/h27-29H,4-26H2,1-3H3
InChI Key:
HEABPKMYAOIBKI-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(CCCCCCCCCC)cc(c1)CCCCCCCCCC
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.454g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.816g/mol
Monoisotopic Mass:
442.454g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.1
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