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30580-75-7 | Peroxide, 1,1-dimethylethyl (1-methylethyl)phenyl
CAS No: 30580-75-7 Catalog No: AG0030L4 MDL No:
Product Description
Catalog Number:
AG0030L4
Chemical Name:
Peroxide, 1,1-dimethylethyl (1-methylethyl)phenyl
CAS Number:
30580-75-7
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
1-tert-butylperoxy-2-propan-2-ylbenzene
InChI:
InChI=1S/C13H20O2/c1-10(2)11-8-6-7-9-12(11)14-15-13(3,4)5/h6-10H,1-5H3
InChI Key:
WVGXBYVKFQJQGN-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1OOC(C)(C)C)C
EC Number:
250-249-6
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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