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Home > Other Heterocycles > 70636-87-2
70636-87-2 | 2,6,7-Trioxabicyclo[2.2.2]octane,4-(1,1-dimethylethyl)-
CAS No: 70636-87-2 Catalog No: AG0066NL MDL No:
Product Description
Catalog Number:
AG0066NL
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane,4-(1,1-dimethylethyl)-
CAS Number:
70636-87-2
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C9H16O3/c1-8(2,3)9-4-10-7(11-5-9)12-6-9/h7H,4-6H2,1-3H3
InChI Key:
GMBZHAZDIZEIMO-UHFFFAOYSA-N
SMILES:
CC(C12COC(OC1)OC2)(C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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