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Home > Other Heterocycles > 112532-68-0
112532-68-0 | 2,6,7-Trioxabicyclo[2.2.2]octane, 4-methyl-1-(3-butynyl)-
CAS No: 112532-68-0 Catalog No: AG007AMC MDL No:
Product Description
Catalog Number:
AG007AMC
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane, 4-methyl-1-(3-butynyl)-
CAS Number:
112532-68-0
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
1-but-3-ynyl-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C10H14O3/c1-3-4-5-10-11-6-9(2,7-12-10)8-13-10/h1H,4-8H2,2H3
InChI Key:
CMSNYEQKGOGGGU-UHFFFAOYSA-N
SMILES:
C#CCCC12OCC(CO1)(CO2)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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