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721-26-6 | Hydroperoxide,1,1'-[1,3-phenylenebis(1-methylethylidene)]bis-
CAS No: 721-26-6 Catalog No: AG005K4X MDL No:
Product Description
Catalog Number:
AG005K4X
Chemical Name:
Hydroperoxide,1,1'-[1,3-phenylenebis(1-methylethylidene)]bis-
CAS Number:
721-26-6
Molecular Formula:
C12H20O4--
Molecular Weight:
228.2848
IUPAC Name:
1,3-bis(2-hydroperoxypropan-2-yl)benzene
InChI:
InChI=1S/C12H18O4/c1-11(2,15-13)9-6-5-7-10(8-9)12(3,4)16-14/h5-8,13-14H,1-4H3
InChI Key:
IROSBXFYXRIPRU-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)C(C)C)C.O[O-].O[O-]
EC Number:
615-720-6
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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