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Home > Other Heterocycles > 177931-43-0
177931-43-0 | Bicyclo[2.2.2]octane-2,5-dione, (1S,4S)-
CAS No: 177931-43-0 Catalog No: AG0025M7 MDL No:
Product Description
Catalog Number:
AG0025M7
Chemical Name:
Bicyclo[2.2.2]octane-2,5-dione, (1S,4S)-
CAS Number:
177931-43-0
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
IUPAC Name:
(1S,4S)-bicyclo[2.2.2]octane-2,5-dione
InChI:
InChI=1S/C8H10O2/c9-7-4-6-2-1-5(7)3-8(6)10/h5-6H,1-4H2/t5-,6-/m0/s1
InChI Key:
WMJKUNDVKHUCMV-WDSKDSINSA-N
SMILES:
O=C1C[C@@H]2CC[C@H]1CC2=O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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