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77355-00-1 | Benzaldehyde,4,4'-[1,4-butanediylbis(oxy)]bis-
CAS No: 77355-00-1 Catalog No: AG005N2D MDL No:
Product Description
Catalog Number:
AG005N2D
Chemical Name:
Benzaldehyde,4,4'-[1,4-butanediylbis(oxy)]bis-
CAS Number:
77355-00-1
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
4-[4-(4-formylphenoxy)butoxy]benzaldehyde
InChI:
InChI=1S/C18H18O4/c19-13-15-3-7-17(8-4-15)21-11-1-2-12-22-18-9-5-16(14-20)6-10-18/h3-10,13-14H,1-2,11-12H2
InChI Key:
KOMWLJLDHRMKGZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCCCOc1ccc(cc1)C=O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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