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Home > Other Building Blocks > 132139-54-9
132139-54-9 | 9,16,23-Octatriacontatrien-3-one, (9E,16E,23E)-
CAS No: 132139-54-9 Catalog No: AG0010AH MDL No:
Product Description
Catalog Number:
AG0010AH
Chemical Name:
9,16,23-Octatriacontatrien-3-one, (9E,16E,23E)-
CAS Number:
132139-54-9
Molecular Formula:
C38H70O
Molecular Weight:
542.9618
IUPAC Name:
octatriaconta-9,16,23-trien-3-one
InChI:
InChI=1S/C38H70O/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/h17-18,24-25,31-32H,3-16,19-23,26-30,33-37H2,1-2H3
InChI Key:
ZCSIKXHAMSQWSS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC/C=C/CCCCC/C=C/CCCCC/C=C/CCCCCC(=O)CC
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.543g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
542.977g/mol
Monoisotopic Mass:
542.543g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
15.8
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