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189243-79-6 | 2-Propanone, 1-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-
CAS No: 189243-79-6 Catalog No: AG002I4D MDL No:
Product Description
Catalog Number:
AG002I4D
Chemical Name:
2-Propanone, 1-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-
CAS Number:
189243-79-6
Molecular Formula:
C17H26O2
Molecular Weight:
262.3871
IUPAC Name:
1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-one
InChI:
InChI=1S/C17H26O2/c1-13(18)11-19-15-9-7-14(8-10-15)17(5,6)12-16(2,3)4/h7-10H,11-12H2,1-6H3
InChI Key:
WTIXLGSFUPUNDB-UHFFFAOYSA-N
SMILES:
CC(=O)COc1ccc(cc1)C(CC(C)(C)C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.193g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.393g/mol
Monoisotopic Mass:
262.193g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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