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Home > Other Heterocycles > 4266-79-9
4266-79-9 | 4-ethyl-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane
CAS No: 4266-79-9 Catalog No: AG0071PG MDL No:
Product Description
Catalog Number:
AG0071PG
Chemical Name:
4-ethyl-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane
CAS Number:
4266-79-9
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
4-ethyl-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C8H14O3/c1-3-8-4-9-7(2,10-5-8)11-6-8/h3-6H2,1-2H3
InChI Key:
SMBRUMZVSRUHEB-UHFFFAOYSA-N
SMILES:
CCC12COC(OC1)(OC2)C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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