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Home > Other Heterocycles > 146681-13-2
146681-13-2 | 1,4-Diazabicyclo[2.2.1]heptane-2,7-dione(9CI)
CAS No: 146681-13-2 Catalog No: AG001E8D MDL No:MFCD18806168
Product Description
Catalog Number:
AG001E8D
Chemical Name:
1,4-Diazabicyclo[2.2.1]heptane-2,7-dione(9CI)
CAS Number:
146681-13-2
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD18806168
IUPAC Name:
1,4-diazabicyclo[2.2.1]heptane-2,7-dione
InChI:
InChI=1S/C5H6N2O2/c8-4-3-6-1-2-7(4)5(6)9/h1-3H2
InChI Key:
KMQDMSXORRNSAX-UHFFFAOYSA-N
SMILES:
O=C1CN2C(=O)N1CC2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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