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15619-54-2 | Peroxide, cyclohexyl 1,1-dimethylethyl
CAS No: 15619-54-2 Catalog No: AG001OKI MDL No:
Product Description
Catalog Number:
AG001OKI
Chemical Name:
Peroxide, cyclohexyl 1,1-dimethylethyl
CAS Number:
15619-54-2
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
tert-butylperoxycyclohexane
InChI:
InChI=1S/C10H20O2/c1-10(2,3)12-11-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChI Key:
GSECCTDWEGTEBD-UHFFFAOYSA-N
SMILES:
CC(OOC1CCCCC1)(C)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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