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190276-00-7 | 1,3-Propanedione, 1,3-bis(4'-dodecyl[1,1'-biphenyl]-4-yl)-
CAS No: 190276-00-7 Catalog No: AG002EG2 MDL No:
Product Description
Catalog Number:
AG002EG2
Chemical Name:
1,3-Propanedione, 1,3-bis(4'-dodecyl[1,1'-biphenyl]-4-yl)-
CAS Number:
190276-00-7
Molecular Formula:
C51H68O2
Molecular Weight:
713.0844
IUPAC Name:
1,3-bis[4-(4-dodecylphenyl)phenyl]propane-1,3-dione
InChI:
InChI=1S/C51H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-42-25-29-44(30-26-42)46-33-37-48(38-34-46)50(52)41-51(53)49-39-35-47(36-40-49)45-31-27-43(28-32-45)24-22-20-18-16-14-12-10-8-6-4-2/h25-40H,3-24,41H2,1-2H3
InChI Key:
GZDBMVFPGBDVMY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)CC(=O)c1ccc(cc1)c1ccc(cc1)CCCCCCCCCCCC
Properties
Complexity:
833
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
712.522g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
713.103g/mol
Monoisotopic Mass:
712.522g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.8
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