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114041-94-0 | Peroxide, 1,1-dimethylethyl 1,1-dimethyl-2-propen-1-yl
CAS No: 114041-94-0 Catalog No: AG000AD3 MDL No:
Product Description
Catalog Number:
AG000AD3
Chemical Name:
Peroxide, 1,1-dimethylethyl 1,1-dimethyl-2-propen-1-yl
CAS Number:
114041-94-0
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
3-tert-butylperoxy-3-methylbut-1-ene
InChI:
InChI=1S/C9H18O2/c1-7-9(5,6)11-10-8(2,3)4/h7H,1H2,2-6H3
InChI Key:
HVDVAFDMEBQSGN-UHFFFAOYSA-N
SMILES:
C=CC(OOC(C)(C)C)(C)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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