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Home > Indoles and Oxindole > 109722-72-7
109722-72-7 | Isoindolo[2,1-b]isoquinolin-7(5H)-one
CAS No: 109722-72-7 Catalog No: AG007AE9 MDL No:
Product Description
Catalog Number:
AG007AE9
Chemical Name:
Isoindolo[2,1-b]isoquinolin-7(5H)-one
CAS Number:
109722-72-7
Molecular Formula:
C16H11NO
Molecular Weight:
233.2646
IUPAC Name:
5H-isoindolo[2,3-b]isoquinolin-7-one
InChI:
InChI=1S/C16H11NO/c18-16-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-17(15)16/h1-9H,10H2
InChI Key:
XPACJQYUBCNLJP-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C2=Cc3c(CN12)cccc3
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.27g/mol
Monoisotopic Mass:
233.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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