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7028-45-7 | 1,6-Hexanedione, 1,3,4,6-tetraphenyl-
CAS No: 7028-45-7 Catalog No: AG005KDK MDL No:
Product Description
Catalog Number:
AG005KDK
Chemical Name:
1,6-Hexanedione, 1,3,4,6-tetraphenyl-
CAS Number:
7028-45-7
Molecular Formula:
C30H26O2
Molecular Weight:
418.5262
IUPAC Name:
1,3,4,6-tetraphenylhexane-1,6-dione
InChI:
InChI=1S/C30H26O2/c31-29(25-17-9-3-10-18-25)21-27(23-13-5-1-6-14-23)28(24-15-7-2-8-16-24)22-30(32)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2
InChI Key:
AJNWAXANBBNSKO-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(C(c1ccccc1)CC(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.193g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.536g/mol
Monoisotopic Mass:
418.193g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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