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Home > Other Heterocycles > 1086378-68-8
1086378-68-8 | 2,5-diazabicyclo[4.2.0]oct-1(6)-ene-7,8-dione
CAS No: 1086378-68-8 Catalog No: AG00Q8VT MDL No:MFCD09991755
Product Description
Catalog Number:
AG00Q8VT
Chemical Name:
2,5-diazabicyclo[4.2.0]oct-1(6)-ene-7,8-dione
CAS Number:
1086378-68-8
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD09991755
IUPAC Name:
2,5-diazabicyclo[4.2.0]oct-1(6)-ene-7,8-dione
InChI:
InChI=1S/C6H6N2O2/c9-5-3-4(6(5)10)8-2-1-7-3/h7-8H,1-2H2
InChI Key:
PFADEFRAGKQVTN-UHFFFAOYSA-N
SMILES:
O=C1C2=C(C1=O)NCCN2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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