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132139-56-1 | 10,17,24-Nonatriacontatrien-3-one, (10E,17E,24E)-
CAS No: 132139-56-1 Catalog No: AG0010AF MDL No:
Product Description
Catalog Number:
AG0010AF
Chemical Name:
10,17,24-Nonatriacontatrien-3-one, (10E,17E,24E)-
CAS Number:
132139-56-1
Molecular Formula:
C39H72O
Molecular Weight:
556.9884
IUPAC Name:
nonatriaconta-10,17,24-trien-3-one
InChI:
InChI=1S/C39H72O/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(40)4-2/h17-18,24-25,31-32H,3-16,19-23,26-30,33-38H2,1-2H3
InChI Key:
VTPBFORJATVTJG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC/C=C/CCCCC/C=C/CCCCC/C=C/CCCCCCC(=O)CC
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
556.558g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
557.004g/mol
Monoisotopic Mass:
556.558g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
16.3
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