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100758-02-9 | Methanone, 1,4-phenylenebis[(2-methylphenyl)- (9CI)
CAS No: 100758-02-9 Catalog No: AG0002TT MDL No:
Product Description
Catalog Number:
AG0002TT
Chemical Name:
Methanone, 1,4-phenylenebis[(2-methylphenyl)- (9CI)
CAS Number:
100758-02-9
Molecular Formula:
C22H18O2
Molecular Weight:
314.3771
IUPAC Name:
[4-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
InChI:
InChI=1S/C22H18O2/c1-15-7-3-5-9-19(15)21(23)17-11-13-18(14-12-17)22(24)20-10-6-4-8-16(20)2/h3-14H,1-2H3
InChI Key:
BEQRQYBAXUUQNL-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(=O)c1ccc(cc1)C(=O)c1ccccc1C
Properties
Complexity:
405
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:
4.6
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