Hydroperoxide, 5-phenyl-4-pentenyl, (E)-


Chemical Name: Hydroperoxide, 5-phenyl-4-pentenyl, (E)-
CAS Number: 87864-20-8
Product Number: AG004G5T(AGN-PC-0VHAS8)
Synonyms:
MDL No: MFCD00216135
Molecular Formula: C11H14O2
Molecular Weight: 178.2277

Identification/Properties


Computed Properties
Molecular Weight:
178.231g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
178.099g/mol
Monoisotopic Mass:
178.099g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
137
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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