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116628-22-9 | 3-Hexanone, 1,6-diphenyl-
CAS No: 116628-22-9 Catalog No: AG000CW4 MDL No:
Product Description
Catalog Number:
AG000CW4
Chemical Name:
3-Hexanone, 1,6-diphenyl-
CAS Number:
116628-22-9
Molecular Formula:
C18H20O
Molecular Weight:
252.3508
IUPAC Name:
1,6-diphenylhexan-3-one
InChI:
InChI=1S/C18H20O/c19-18(15-14-17-10-5-2-6-11-17)13-7-12-16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2
InChI Key:
LRFVOCFZFSGKFT-UHFFFAOYSA-N
SMILES:
O=C(CCc1ccccc1)CCCc1ccccc1
Properties
Complexity:
246
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:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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