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Home > Other Heterocycles > 94994-33-9
94994-33-9 | {4-ethynylbicyclo[2.2.2]octan-1-yl}methanol
CAS No: 94994-33-9 Catalog No: AG01EGF5 MDL No:MFCD29042864
Product Description
Catalog Number:
AG01EGF5
Chemical Name:
{4-ethynylbicyclo[2.2.2]octan-1-yl}methanol
CAS Number:
94994-33-9
MDL Number:
MFCD29042864
IUPAC Name:
(4-ethynyl-1-bicyclo[2.2.2]octanyl)methanol
InChI:
InChI=1S/C11H16O/c1-2-10-3-6-11(9-12,7-4-10)8-5-10/h1,12H,3-9H2
InChI Key:
PCEKETYGXQLQAY-UHFFFAOYSA-N
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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