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114627-38-2 | Methanone, 1,1'-(2,5-dimethyl-1,4-phenylene)bis[1-phenyl-
CAS No: 114627-38-2 Catalog No: AG000EV2 MDL No:
Product Description
Catalog Number:
AG000EV2
Chemical Name:
Methanone, 1,1'-(2,5-dimethyl-1,4-phenylene)bis[1-phenyl-
CAS Number:
114627-38-2
Molecular Formula:
C22H18O2
Molecular Weight:
314.3771
IUPAC Name:
(4-benzoyl-2,5-dimethylphenyl)-phenylmethanone
InChI:
InChI=1S/C22H18O2/c1-15-13-20(22(24)18-11-7-4-8-12-18)16(2)14-19(15)21(23)17-9-5-3-6-10-17/h3-14H,1-2H3
InChI Key:
BDOCHDSWRRVXAE-UHFFFAOYSA-N
SMILES:
O=C(c1cc(C)c(cc1C)C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.384g/mol
Monoisotopic Mass:
314.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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