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Home > Aldehydes > 918531-49-4
918531-49-4 | 4,9-Pyrenedicarboxaldehyde, 2,7-bis(1,1-dimethylethyl)-
CAS No: 918531-49-4 Catalog No: AG006PQ8 MDL No:
Product Description
Catalog Number:
AG006PQ8
Chemical Name:
4,9-Pyrenedicarboxaldehyde, 2,7-bis(1,1-dimethylethyl)-
CAS Number:
918531-49-4
Molecular Formula:
C26H26O2
Molecular Weight:
370.4834
IUPAC Name:
2,7-ditert-butylpyrene-4,9-dicarbaldehyde
InChI:
InChI=1S/C26H26O2/c1-25(2,3)19-9-15-7-18(14-28)22-12-20(26(4,5)6)10-16-8-17(13-27)21(11-19)23(15)24(16)22/h7-14H,1-6H3
InChI Key:
UMFZMOVBICOEPZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc2cc(cc3c2c2c1cc(cc2cc3C=O)C(C)(C)C)C(C)(C)C
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.193g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.492g/mol
Monoisotopic Mass:
370.193g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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