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347143-82-2 | 2H-Pyran, tetrahydro-2-[[18-(4-iodophenyl)octadecyl]oxy]-
CAS No: 347143-82-2 Catalog No: AG007CUX MDL No:
Product Description
Catalog Number:
AG007CUX
Chemical Name:
2H-Pyran, tetrahydro-2-[[18-(4-iodophenyl)octadecyl]oxy]-
CAS Number:
347143-82-2
Molecular Formula:
C29H49IO2
Molecular Weight:
556.6026
IUPAC Name:
2-[18-(4-iodophenyl)octadecoxy]oxane
InChI:
InChI=1S/C29H49IO2/c30-28-23-21-27(22-24-28)19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-25-31-29-20-16-18-26-32-29/h21-24,29H,1-20,25-26H2
InChI Key:
KIKFYVRRKASQEN-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)CCCCCCCCCCCCCCCCCCOC1CCCCO1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
556.278g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
556.613g/mol
Monoisotopic Mass:
556.278g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.8
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