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106110-77-4

106110-77-4 | 1,3(2H,4H)-Isoquinolinedione, 2-(2-ethylphenyl)-

CAS No: 106110-77-4 Catalog No: AG007VQ2 MDL No:

Product Description

Catalog Number:
AG007VQ2
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-(2-ethylphenyl)-
CAS Number:
106110-77-4
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
2-(2-ethylphenyl)-4H-isoquinoline-1,3-dione
InChI:
InChI=1S/C17H15NO2/c1-2-12-7-4-6-10-15(12)18-16(19)11-13-8-3-5-9-14(13)17(18)20/h3-10H,2,11H2,1H3
InChI Key:
QFOJKXRZXSUAID-UHFFFAOYSA-N
SMILES:
CCc1ccccc1N1C(=O)Cc2c(C1=O)cccc2

Properties

Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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