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20614-61-3 | Hydroperoxide, 1-phenylcyclohexyl
CAS No: 20614-61-3 Catalog No: AG002AJI MDL No:
Product Description
Catalog Number:
AG002AJI
Chemical Name:
Hydroperoxide, 1-phenylcyclohexyl
CAS Number:
20614-61-3
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
(1-hydroperoxycyclohexyl)benzene
InChI:
InChI=1S/C12H16O2/c13-14-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2
InChI Key:
QCRRJEABYLEFAE-UHFFFAOYSA-N
SMILES:
OOC1(CCCCC1)c1ccccc1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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