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Home > Other Heterocycles > 89574-96-9
89574-96-9 | 2,6,7-Trioxabicyclo[2.2.2]octane-1-methanol, 4-ethyl-
CAS No: 89574-96-9 Catalog No: AG003XYW MDL No:
Product Description
Catalog Number:
AG003XYW
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane-1-methanol, 4-ethyl-
CAS Number:
89574-96-9
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
(4-ethyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methanol
InChI:
InChI=1S/C8H14O4/c1-2-7-4-10-8(3-9,11-5-7)12-6-7/h9H,2-6H2,1H3
InChI Key:
DNEOMNDSVDVAKL-UHFFFAOYSA-N
SMILES:
CCC12COC(OC1)(OC2)CO
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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