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81721-73-5

81721-73-5 | 6-ETHYL-5H-INDENO[1,2-C]ISOQUINOLINE-5,11(6H)-DIONE

CAS No: 81721-73-5 Catalog No: AG0057RF MDL No:

Product Description

Catalog Number:
AG0057RF
Chemical Name:
6-ETHYL-5H-INDENO[1,2-C]ISOQUINOLINE-5,11(6H)-DIONE
CAS Number:
81721-73-5
Molecular Formula:
C18H13NO2
Molecular Weight:
275.3013
IUPAC Name:
6-ethylindeno[1,2-c]isoquinoline-5,11-dione
InChI:
InChI=1S/C18H13NO2/c1-2-19-16-12-8-4-5-9-13(12)17(20)15(16)11-7-3-6-10-14(11)18(19)21/h3-10H,2H2,1H3
InChI Key:
MXFQAZZHZMQRRV-UHFFFAOYSA-N
SMILES:
CCn1c2c3ccccc3C(=O)c2c2c(c1=O)cccc2
UNII:
IRQ11YJ3RC
NSC Number:
338644

Properties

Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.095g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.307g/mol
Monoisotopic Mass:
275.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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