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75998-19-5

75998-19-5 | 2-(isoquinolin-3-yl)-1h-indene-1,3(2h)-dione

CAS No: 75998-19-5 Catalog No: AG005SF0 MDL No:

Product Description

Catalog Number:
AG005SF0
Chemical Name:
2-(isoquinolin-3-yl)-1h-indene-1,3(2h)-dione
CAS Number:
75998-19-5
Molecular Formula:
C18H11NO2
Molecular Weight:
273.2854
IUPAC Name:
2-isoquinolin-3-ylindene-1,3-dione
InChI:
InChI=1S/C18H11NO2/c20-17-13-7-3-4-8-14(13)18(21)16(17)15-9-11-5-1-2-6-12(11)10-19-15/h1-10,16H
InChI Key:
IGDPRWIDXDCILB-UHFFFAOYSA-N
SMILES:
O=C1C(c2ncc3c(c2)cccc3)C(=O)c2c1cccc2
NSC Number:
162716

Properties

Complexity:
423  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.079g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.291g/mol
Monoisotopic Mass:
273.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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