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59662-26-9 | 1-([1,1'-Biphenyl]-4-yl);hexan-1-one
CAS No: 59662-26-9 Catalog No: AG003LU1 MDL No:MFCD00143349
Product Description
Catalog Number:
AG003LU1
Chemical Name:
1-([1,1'-Biphenyl]-4-yl);hexan-1-one
CAS Number:
59662-26-9
Molecular Formula:
C18H20O
Molecular Weight:
252.3508
MDL Number:
MFCD00143349
IUPAC Name:
1-(4-phenylphenyl)hexan-1-one
InChI:
InChI=1S/C18H20O/c1-2-3-5-10-18(19)17-13-11-16(12-14-17)15-8-6-4-7-9-15/h4,6-9,11-14H,2-3,5,10H2,1H3
InChI Key:
HHVQDDCTUWJMFP-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)c1ccc(cc1)c1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.151g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.357g/mol
Monoisotopic Mass:
252.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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