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100461-35-6 | Ethanedione, (pentamethylphenyl)phenyl- (9CI)
CAS No: 100461-35-6 Catalog No: AG00021L MDL No:
Product Description
Catalog Number:
AG00021L
Chemical Name:
Ethanedione, (pentamethylphenyl)phenyl- (9CI)
CAS Number:
100461-35-6
Molecular Formula:
C19H20O2
Molecular Weight:
280.3609
IUPAC Name:
1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethane-1,2-dione
InChI:
InChI=1S/C19H20O2/c1-11-12(2)14(4)17(15(5)13(11)3)19(21)18(20)16-9-7-6-8-10-16/h6-10H,1-5H3
InChI Key:
MKLOKRNNORZWGE-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)c(C)c(c(c1C)C)C)C(=O)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.146g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.367g/mol
Monoisotopic Mass:
280.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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