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89510-76-9 | Benzaldehyde, 4,4'-(1E,3E,5E)-1,3,5-hexatriene-1,6-diylbis-
CAS No: 89510-76-9 Catalog No: AG00417K MDL No:
Product Description
Catalog Number:
AG00417K
Chemical Name:
Benzaldehyde, 4,4'-(1E,3E,5E)-1,3,5-hexatriene-1,6-diylbis-
CAS Number:
89510-76-9
Molecular Formula:
C20H16O2
Molecular Weight:
288.3398
IUPAC Name:
4-[6-(4-formylphenyl)hexa-1,3,5-trienyl]benzaldehyde
InChI:
InChI=1S/C20H16O2/c21-15-19-11-7-17(8-12-19)5-3-1-2-4-6-18-9-13-20(16-22)14-10-18/h1-16H
InChI Key:
YYZOFWPAGUWHTM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)/C=C/C=C/C=C/c1ccc(cc1)C=O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.346g/mol
Monoisotopic Mass:
288.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
4.4
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