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15517-58-5 | Ethanone, 1,1'-(2,3,5,6-tetramethyl-1,4-phenylene)bis-
CAS No: 15517-58-5 Catalog No: AG001NPB MDL No:
Product Description
Catalog Number:
AG001NPB
Chemical Name:
Ethanone, 1,1'-(2,3,5,6-tetramethyl-1,4-phenylene)bis-
CAS Number:
15517-58-5
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
1-(4-acetyl-2,3,5,6-tetramethylphenyl)ethanone
InChI:
InChI=1S/C14H18O2/c1-7-8(2)14(12(6)16)10(4)9(3)13(7)11(5)15/h1-6H3
InChI Key:
LWEPWZCIDHRXGC-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)c(C)c(c(c1C)C)C(=O)C
NSC Number:
74923
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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