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85981-82-4 | Hydroperoxide, 1-(2,4-dimethylphenyl)-1-methyl-3-phenylpropyl
CAS No: 85981-82-4 Catalog No: AG004Q4E MDL No:
Product Description
Catalog Number:
AG004Q4E
Chemical Name:
Hydroperoxide, 1-(2,4-dimethylphenyl)-1-methyl-3-phenylpropyl
CAS Number:
85981-82-4
Molecular Formula:
C18H22O2
Molecular Weight:
270.3661
IUPAC Name:
1-(2-hydroperoxy-4-phenylbutan-2-yl)-2,4-dimethylbenzene
InChI:
InChI=1S/C18H22O2/c1-14-9-10-17(15(2)13-14)18(3,20-19)12-11-16-7-5-4-6-8-16/h4-10,13,19H,11-12H2,1-3H3
InChI Key:
JEGPGRUFBFIVEB-UHFFFAOYSA-N
SMILES:
OOC(c1ccc(cc1C)C)(CCc1ccccc1)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.372g/mol
Monoisotopic Mass:
270.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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