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138538-53-1 | 1,7-Pentatriacontadiene
CAS No: 138538-53-1 Catalog No: AG0019EO MDL No:
Product Description
Catalog Number:
AG0019EO
Chemical Name:
1,7-Pentatriacontadiene
CAS Number:
138538-53-1
Molecular Formula:
C35H68
Molecular Weight:
488.9144
IUPAC Name:
pentatriaconta-1,7-diene
InChI:
InChI=1S/C35H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,13,15H,1,4-12,14,16-35H2,2H3
InChI Key:
YEXWSNPACHEDRB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCC=C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.532g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
488.929g/mol
Monoisotopic Mass:
488.532g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
17.7
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