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Home > Other Heterocycles > 817575-51-2
817575-51-2 | 2,5-Diazabicyclo[2.2.2]octane-3,6-dione,1,2,4-trimethyl-, (1R,4R)-
CAS No: 817575-51-2 Catalog No: AG00574P MDL No:
Product Description
Catalog Number:
AG00574P
Chemical Name:
2,5-Diazabicyclo[2.2.2]octane-3,6-dione,1,2,4-trimethyl-, (1R,4R)-
CAS Number:
817575-51-2
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
(1R,4R)-1,2,4-trimethyl-2,5-diazabicyclo[2.2.2]octane-3,6-dione
InChI:
InChI=1S/C9H14N2O2/c1-8-4-5-9(2,6(12)10-8)11(3)7(8)13/h4-5H2,1-3H3,(H,10,12)/t8-,9-/m1/s1
InChI Key:
QVZKJWWTHLOLKC-RKDXNWHRSA-N
SMILES:
O=C1N(C)[C@]2(C)CC[C@@]1(C)NC2=O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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