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20863-88-1 | 1,3,4(2H)-Isoquinolinetrione, 2-ethyl-
CAS No: 20863-88-1 Catalog No: AG002JTE MDL No:
Product Description
Catalog Number:
AG002JTE
Chemical Name:
1,3,4(2H)-Isoquinolinetrione, 2-ethyl-
CAS Number:
20863-88-1
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
IUPAC Name:
2-ethylisoquinoline-1,3,4-trione
InChI:
InChI=1S/C11H9NO3/c1-2-12-10(14)8-6-4-3-5-7(8)9(13)11(12)15/h3-6H,2H2,1H3
InChI Key:
OCXHLPQNMWXOKW-UHFFFAOYSA-N
SMILES:
CCN1C(=O)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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