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7155-17-1 | 7-benzoyl-7-azabicyclo(4.2.0)octa-1,3,5-trien-8-one
CAS No: 7155-17-1 Catalog No: AG005GRQ MDL No:
Product Description
Catalog Number:
AG005GRQ
Chemical Name:
7-benzoyl-7-azabicyclo(4.2.0)octa-1,3,5-trien-8-one
CAS Number:
7155-17-1
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
IUPAC Name:
7-benzoyl-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
InChI:
InChI=1S/C14H9NO2/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(15)17/h1-9H
InChI Key:
VVPBEWFSPBASBT-UHFFFAOYSA-N
SMILES:
O=C(N1C(=O)c2c1cccc2)c1ccccc1
NSC Number:
53854
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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