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89444-28-0 | Hydroperoxide, 1-(2,4-dimethylphenyl)-1-methylethyl
CAS No: 89444-28-0 Catalog No: AG00437B MDL No:
Product Description
Catalog Number:
AG00437B
Chemical Name:
Hydroperoxide, 1-(2,4-dimethylphenyl)-1-methylethyl
CAS Number:
89444-28-0
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
1-(2-hydroperoxypropan-2-yl)-2,4-dimethylbenzene
InChI:
InChI=1S/C11H16O2/c1-8-5-6-10(9(2)7-8)11(3,4)13-12/h5-7,12H,1-4H3
InChI Key:
CONCFWCSRNSNKZ-UHFFFAOYSA-N
SMILES:
OOC(c1ccc(cc1C)C)(C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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