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Home > Other Heterocycles > 87951-44-8
87951-44-8 | 1,2-Diazabicyclo[5.2.0]nona-3,5-dien-9-one, 2-benzoyl-7,8-dimethyl-
CAS No: 87951-44-8 Catalog No: AG004D4X MDL No:
Product Description
Catalog Number:
AG004D4X
Chemical Name:
1,2-Diazabicyclo[5.2.0]nona-3,5-dien-9-one, 2-benzoyl-7,8-dimethyl-
CAS Number:
87951-44-8
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
2-benzoyl-7,8-dimethyl-1,2-diazabicyclo[5.2.0]nona-3,5-dien-9-one
InChI:
InChI=1S/C16H16N2O2/c1-12-14(19)18-16(12,2)10-6-7-11-17(18)15(20)13-8-4-3-5-9-13/h3-12H,1-2H3
InChI Key:
XKKYHDNFVNLQCH-UHFFFAOYSA-N
SMILES:
O=C1C(C)C2(N1N(C=CC=C2)C(=O)c1ccccc1)C
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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