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123200-56-6 | 1-Pentanone, 1,3,5-triphenyl-
CAS No: 123200-56-6 Catalog No: AG000K68 MDL No:
Product Description
Catalog Number:
AG000K68
Chemical Name:
1-Pentanone, 1,3,5-triphenyl-
CAS Number:
123200-56-6
Molecular Formula:
C23H22O
Molecular Weight:
314.4202
IUPAC Name:
1,3,5-triphenylpentan-1-one
InChI:
InChI=1S/C23H22O/c24-23(21-14-8-3-9-15-21)18-22(20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-15,22H,16-18H2
InChI Key:
JOKUEXDBLXTTHD-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(c1ccccc1)CCc1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.167g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.428g/mol
Monoisotopic Mass:
314.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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