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132139-53-8 | 16,23-Octatriacontadien-3-one, (16E,23E)-
CAS No: 132139-53-8 Catalog No: AG00109B MDL No:
Product Description
Catalog Number:
AG00109B
Chemical Name:
16,23-Octatriacontadien-3-one, (16E,23E)-
CAS Number:
132139-53-8
Molecular Formula:
C38H72O
Molecular Weight:
544.9777
IUPAC Name:
octatriaconta-16,23-dien-3-one
InChI:
InChI=1S/C38H72O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38(39)4-2/h17-18,24-25H,3-16,19-23,26-37H2,1-2H3
InChI Key:
LSJKYNABDLNZPV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC/C=C/CCCCC/C=C/CCCCCCCCCCCCC(=O)CC
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.558g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
544.993g/mol
Monoisotopic Mass:
544.558g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
16.7
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