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Home > Aldehydes > 223574-09-2
223574-09-2 | Benzaldehyde, 3,5-bis[2-[3,5-bis(1,1-dimethylethyl)phenyl]ethenyl]-
CAS No: 223574-09-2 Catalog No: AG007OPB MDL No:
Product Description
Catalog Number:
AG007OPB
Chemical Name:
Benzaldehyde, 3,5-bis[2-[3,5-bis(1,1-dimethylethyl)phenyl]ethenyl]-
CAS Number:
223574-09-2
Molecular Formula:
C39H50O
Molecular Weight:
534.8137
IUPAC Name:
3,5-bis[2-(3,5-ditert-butylphenyl)ethenyl]benzaldehyde
InChI:
InChI=1S/C39H50O/c1-36(2,3)32-20-29(21-33(24-32)37(4,5)6)15-13-27-17-28(19-31(18-27)26-40)14-16-30-22-34(38(7,8)9)25-35(23-30)39(10,11)12/h13-26H,1-12H3
InChI Key:
LEAJPWHJWOPKLX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C=Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)cc(c1)C=Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
750
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.386g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
534.828g/mol
Monoisotopic Mass:
534.386g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
12.6
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