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114450-85-0 | 1-Octanone, 1-[4'-(acetyloxy)[1,1'-biphenyl]-4-yl]-
CAS No: 114450-85-0 Catalog No: AG000EEI MDL No:
Product Description
Catalog Number:
AG000EEI
Chemical Name:
1-Octanone, 1-[4'-(acetyloxy)[1,1'-biphenyl]-4-yl]-
CAS Number:
114450-85-0
Molecular Formula:
C22H26O3
Molecular Weight:
338.4400
IUPAC Name:
[4-(4-octanoylphenyl)phenyl] acetate
InChI:
InChI=1S/C22H26O3/c1-3-4-5-6-7-8-22(24)20-11-9-18(10-12-20)19-13-15-21(16-14-19)25-17(2)23/h9-16H,3-8H2,1-2H3
InChI Key:
SQKIPWKIPCIKTQ-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)c1ccc(cc1)c1ccc(cc1)OC(=O)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.188g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.447g/mol
Monoisotopic Mass:
338.188g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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