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138843-17-1 | 1-Hexatetraconten-15-one, 37-(acetyloxy)-
CAS No: 138843-17-1 Catalog No: AG0019OR MDL No:
Product Description
Catalog Number:
AG0019OR
Chemical Name:
1-Hexatetraconten-15-one, 37-(acetyloxy)-
CAS Number:
138843-17-1
Molecular Formula:
C48H92O3
Molecular Weight:
717.2423
IUPAC Name:
32-oxohexatetracont-45-en-10-yl acetate
InChI:
InChI=1S/C48H92O3/c1-4-6-8-10-12-13-14-24-27-31-34-38-42-47(50)43-39-35-32-28-25-22-20-18-16-15-17-19-21-23-26-29-33-37-41-45-48(51-46(3)49)44-40-36-30-11-9-7-5-2/h4,48H,1,5-45H2,2-3H3
InChI Key:
ICDIZGXAKDCWOE-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCC(OC(=O)C)CCCCCCCCC
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
716.705g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
717.261g/mol
Monoisotopic Mass:
716.705g/mol
Rotatable Bond Count:
45
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
20.9
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