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Home > Other Heterocycles > 119986-98-0
119986-98-0 | Bicyclo[2.2.2]octane-2,6-dione, 4-methyl-
CAS No: 119986-98-0 Catalog No: AG000PZI MDL No:
Product Description
Catalog Number:
AG000PZI
Chemical Name:
Bicyclo[2.2.2]octane-2,6-dione, 4-methyl-
CAS Number:
119986-98-0
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
4-methylbicyclo[2.2.2]octane-2,6-dione
InChI:
InChI=1S/C9H12O2/c1-9-3-2-6(7(10)4-9)8(11)5-9/h6H,2-5H2,1H3
InChI Key:
MDSIHOJODTWKJS-UHFFFAOYSA-N
SMILES:
O=C1CC2(C)CCC1C(=O)C2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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