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26444-17-7 | Hydroperoxide, 1-methyl-1-(methylphenyl)ethyl
CAS No: 26444-17-7 Catalog No: AG002T84 MDL No:
Product Description
Catalog Number:
AG002T84
Chemical Name:
Hydroperoxide, 1-methyl-1-(methylphenyl)ethyl
CAS Number:
26444-17-7
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
1-(2-hydroperoxypropan-2-yl)-2-methylbenzene
InChI:
InChI=1S/C10H14O2/c1-8-6-4-5-7-9(8)10(2,3)12-11/h4-7,11H,1-3H3
InChI Key:
PMHODFQTVFDQPV-UHFFFAOYSA-N
SMILES:
OOC(c1ccccc1C)(C)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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