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Home > Other Heterocycles > 85168-14-5
85168-14-5 | 2-Oxa-6,8-diazabicyclo[3.2.2]nonane-7,9-dione, 6,8-dimethyl-
CAS No: 85168-14-5 Catalog No: AG004WH7 MDL No:
Product Description
Catalog Number:
AG004WH7
Chemical Name:
2-Oxa-6,8-diazabicyclo[3.2.2]nonane-7,9-dione, 6,8-dimethyl-
CAS Number:
85168-14-5
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
IUPAC Name:
6,8-dimethyl-2-oxa-6,8-diazabicyclo[3.2.2]nonane-7,9-dione
InChI:
InChI=1S/C8H12N2O3/c1-9-5-3-4-13-8(7(9)12)10(2)6(5)11/h5,8H,3-4H2,1-2H3
InChI Key:
TYILXUMKXVKRHY-UHFFFAOYSA-N
SMILES:
O=C1C2OCCC(N1C)C(=O)N2C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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