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77355-02-3 | Benzaldehyde,4,4'-[1,6-hexanediylbis(oxy)]bis-
CAS No: 77355-02-3 Catalog No: AG0053YK MDL No:
Product Description
Catalog Number:
AG0053YK
Chemical Name:
Benzaldehyde,4,4'-[1,6-hexanediylbis(oxy)]bis-
CAS Number:
77355-02-3
Molecular Formula:
C20H22O4
Molecular Weight:
326.3863
IUPAC Name:
4-[6-(4-formylphenoxy)hexoxy]benzaldehyde
InChI:
InChI=1S/C20H22O4/c21-15-17-5-9-19(10-6-17)23-13-3-1-2-4-14-24-20-11-7-18(16-22)8-12-20/h5-12,15-16H,1-4,13-14H2
InChI Key:
ZSIVOFNVHLOMBY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCCCCCOc1ccc(cc1)C=O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.392g/mol
Monoisotopic Mass:
326.152g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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