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Home > Other Heterocycles > 87951-43-7
87951-43-7 | 1,2-Diazabicyclo[5.2.0]nona-3,5-dien-9-one, 2-benzoyl-7-methyl-
CAS No: 87951-43-7 Catalog No: AG004GAE MDL No:
Product Description
Catalog Number:
AG004GAE
Chemical Name:
1,2-Diazabicyclo[5.2.0]nona-3,5-dien-9-one, 2-benzoyl-7-methyl-
CAS Number:
87951-43-7
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
IUPAC Name:
2-benzoyl-7-methyl-1,2-diazabicyclo[5.2.0]nona-3,5-dien-9-one
InChI:
InChI=1S/C15H14N2O2/c1-15-9-5-6-10-16(17(15)13(18)11-15)14(19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChI Key:
GIWZVYOLTVLYIP-UHFFFAOYSA-N
SMILES:
O=C1CC2(N1N(C=CC=C2)C(=O)c1ccccc1)C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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