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73109-31-6

73109-31-6 | 2-p-Tolyl-4H-isoquinoline-1,3-dione

CAS No: 73109-31-6 Catalog No: AG008QJU MDL No:MFCD00629792

Product Description

Catalog Number:
AG008QJU
Chemical Name:
2-p-Tolyl-4H-isoquinoline-1,3-dione
CAS Number:
73109-31-6
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD00629792
IUPAC Name:
2-(4-methylphenyl)-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C16H13NO2/c1-11-6-8-13(9-7-11)17-15(18)10-12-4-2-3-5-14(12)16(17)19/h2-9H,10H2,1H3
InChI Key:
NKALWHIBQTXTMK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1C(=O)Cc2c(C1=O)cccc2

Properties

Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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