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71566-50-2 | 1-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]-4-propan-2-yl-benzene
CAS No: 71566-50-2 Catalog No: AG005GRG MDL No:
Product Description
Catalog Number:
AG005GRG
Chemical Name:
1-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]-4-propan-2-yl-benzene
CAS Number:
71566-50-2
Molecular Formula:
C21H28O2
Molecular Weight:
312.4458
IUPAC Name:
1-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]-4-propan-2-ylbenzene
InChI:
InChI=1S/C21H28O2/c1-16(2)17-12-14-19(15-13-17)21(5,6)23-22-20(3,4)18-10-8-7-9-11-18/h7-16H,1-6H3
InChI Key:
XEFAUYWDKZORII-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(OOC(c1ccccc1)(C)C)(C)C)C
EC Number:
410-840-3
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.209g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.453g/mol
Monoisotopic Mass:
312.209g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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