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Home > Other Heterocycles > 4171-93-1
4171-93-1 | 2,6,7-Trioxabicyclo[2.2.2]octane,4-ethyl-
CAS No: 4171-93-1 Catalog No: AG0075IJ MDL No:
Product Description
Catalog Number:
AG0075IJ
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane,4-ethyl-
CAS Number:
4171-93-1
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
4-ethyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C7H12O3/c1-2-7-3-8-6(9-4-7)10-5-7/h6H,2-5H2,1H3
InChI Key:
IGRGZFDQPRQUMK-UHFFFAOYSA-N
SMILES:
CCC12COC(OC1)OC2
NSC Number:
70108
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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