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88091-26-3 | 1-Propanone, 1-[5-(1,1-dimethylethyl)-2-methylphenyl]-2,2-dimethyl-
CAS No: 88091-26-3 Catalog No: AG004EK0 MDL No:
Product Description
Catalog Number:
AG004EK0
Chemical Name:
1-Propanone, 1-[5-(1,1-dimethylethyl)-2-methylphenyl]-2,2-dimethyl-
CAS Number:
88091-26-3
Molecular Formula:
C16H24O
Molecular Weight:
232.3612
IUPAC Name:
1-(5-tert-butyl-2-methylphenyl)-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C16H24O/c1-11-8-9-12(15(2,3)4)10-13(11)14(17)16(5,6)7/h8-10H,1-7H3
InChI Key:
MUICLQDKOGIQRR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C(=O)C(C)(C)C)C(C)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.367g/mol
Monoisotopic Mass:
232.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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