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Home > Other Heterocycles > 29188-63-4
29188-63-4 | Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]hept-2-enyl
CAS No: 29188-63-4 Catalog No: AG002XMZ MDL No:
Product Description
Catalog Number:
AG002XMZ
Chemical Name:
Hydroperoxide, 2,6,6-trimethylbicyclo[3.1.1]hept-2-enyl
CAS Number:
29188-63-4
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
1-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
InChI:
InChI=1S/C10H16O2/c1-7-4-5-8-6-10(7,12-11)9(8,2)3/h4,8,11H,5-6H2,1-3H3
InChI Key:
PPDRDTUMKCFTDF-UHFFFAOYSA-N
SMILES:
OOC12CC(C2(C)C)CC=C1C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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