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Home > Other Heterocycles > 1856211-08-9
1856211-08-9 | 3-{bicyclo[2.2.2]octan-2-yl}-3-methyloxirane-2-carbonitrile
CAS No: 1856211-08-9 Catalog No: AG01C6X7 MDL No:MFCD31432520
Product Description
Catalog Number:
AG01C6X7
Chemical Name:
3-{bicyclo[2.2.2]octan-2-yl}-3-methyloxirane-2-carbonitrile
CAS Number:
1856211-08-9
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD31432520
IUPAC Name:
3-(2-bicyclo[2.2.2]octanyl)-3-methyloxirane-2-carbonitrile
InChI:
InChI=1S/C12H17NO/c1-12(11(7-13)14-12)10-6-8-2-4-9(10)5-3-8/h8-11H,2-6H2,1H3
InChI Key:
OUJMYBAPICJMAN-UHFFFAOYSA-N
SMILES:
N#CC1OC1(C)C1CC2CCC1CC2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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