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Home > Other Heterocycles > 405298-62-6
405298-62-6 | 2,8-Diazabicyclo[4.2.0]octa-1,3,5-trien-7-one
CAS No: 405298-62-6 Catalog No: AG0076ML MDL No:
Product Description
Catalog Number:
AG0076ML
Chemical Name:
2,8-Diazabicyclo[4.2.0]octa-1,3,5-trien-7-one
CAS Number:
405298-62-6
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
IUPAC Name:
2,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-7-one
InChI:
InChI=1S/C6H4N2O/c9-6-4-2-1-3-7-5(4)8-6/h1-3H,(H,7,8,9)
InChI Key:
RONBYZQPYUZOAY-UHFFFAOYSA-N
SMILES:
O=C1Nc2c1cccn2
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.032g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
120.111g/mol
Monoisotopic Mass:
120.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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