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Home > Other Heterocycles > 72447-56-4
72447-56-4 | 2-Oxabicyclo[2.2.2]octane-3-methanol, 1,3-dimethyl-
CAS No: 72447-56-4 Catalog No: AG005HFS MDL No:
Product Description
Catalog Number:
AG005HFS
Chemical Name:
2-Oxabicyclo[2.2.2]octane-3-methanol, 1,3-dimethyl-
CAS Number:
72447-56-4
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
(1,3-dimethyl-2-oxabicyclo[2.2.2]octan-3-yl)methanol
InChI:
InChI=1S/C10H18O2/c1-9-5-3-8(4-6-9)10(2,7-11)12-9/h8,11H,3-7H2,1-2H3
InChI Key:
HTGSXANWVMWFEM-UHFFFAOYSA-N
SMILES:
OCC1(C)OC2(C)CCC1CC2
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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