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161960-57-2 | Benzaldehyde, 4,4'-[1,5-pentanediylbis(oxy)]bis[3,5-dimethoxy- (9CI)
CAS No: 161960-57-2 Catalog No: AG001SJQ MDL No:
Product Description
Catalog Number:
AG001SJQ
Chemical Name:
Benzaldehyde, 4,4'-[1,5-pentanediylbis(oxy)]bis[3,5-dimethoxy- (9CI)
CAS Number:
161960-57-2
Molecular Formula:
C23H28O8
Molecular Weight:
432.4636
IUPAC Name:
4-[5-(4-formyl-2,6-dimethoxyphenoxy)pentoxy]-3,5-dimethoxybenzaldehyde
InChI:
InChI=1S/C23H28O8/c1-26-18-10-16(14-24)11-19(27-2)22(18)30-8-6-5-7-9-31-23-20(28-3)12-17(15-25)13-21(23)29-4/h10-15H,5-9H2,1-4H3
InChI Key:
CIOIYABBLFVQSG-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1OCCCCCOc1c(OC)cc(cc1OC)C=O)OC
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.178g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
432.469g/mol
Monoisotopic Mass:
432.178g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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