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85981-60-8 | Hydroperoxide, 1,3-dimethyl-1-phenylbutyl
CAS No: 85981-60-8 Catalog No: AG004M84 MDL No:
Product Description
Catalog Number:
AG004M84
Chemical Name:
Hydroperoxide, 1,3-dimethyl-1-phenylbutyl
CAS Number:
85981-60-8
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
(2-hydroperoxy-4-methylpentan-2-yl)benzene
InChI:
InChI=1S/C12H18O2/c1-10(2)9-12(3,14-13)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3
InChI Key:
ORMDVQRBTFCOGC-UHFFFAOYSA-N
SMILES:
OOC(c1ccccc1)(CC(C)C)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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