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24223-06-1 | 1(3H)-Isobenzofuranone, 3-(1-isoquinolinyl)-
CAS No: 24223-06-1 Catalog No: AG007O2Y MDL No:
Product Description
Catalog Number:
AG007O2Y
Chemical Name:
1(3H)-Isobenzofuranone, 3-(1-isoquinolinyl)-
CAS Number:
24223-06-1
Molecular Formula:
C17H11NO2
Molecular Weight:
261.2747
IUPAC Name:
3-isoquinolin-1-yl-3H-2-benzofuran-1-one
InChI:
InChI=1S/C17H11NO2/c19-17-14-8-4-3-7-13(14)16(20-17)15-12-6-2-1-5-11(12)9-10-18-15/h1-10,16H
InChI Key:
DAAVHFJSZISNAH-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)c1nccc2c1cccc2
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.28g/mol
Monoisotopic Mass:
261.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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