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111029-50-6

111029-50-6 | Benzaldehyde, 2,2'-[1,8-octanediylbis(oxy)]bis-

CAS No: 111029-50-6 Catalog No: AG007TUL MDL No:

Product Description

Catalog Number:
AG007TUL
Chemical Name:
Benzaldehyde, 2,2'-[1,8-octanediylbis(oxy)]bis-
CAS Number:
111029-50-6
Molecular Formula:
C22H26O4
Molecular Weight:
354.4394
IUPAC Name:
2-[8-(2-formylphenoxy)octoxy]benzaldehyde
InChI:
InChI=1S/C22H26O4/c23-17-19-11-5-7-13-21(19)25-15-9-3-1-2-4-10-16-26-22-14-8-6-12-20(22)18-24/h5-8,11-14,17-18H,1-4,9-10,15-16H2
InChI Key:
YHGVQYTZPXCUGC-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1OCCCCCCCCOc1ccccc1C=O

Properties

Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.183g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.446g/mol
Monoisotopic Mass:
354.183g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

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