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Home > Indoles and Oxindole > 81890-80-4
81890-80-4 | 1H-Benz[f]isoindole-1,3(2H)-dione, 6-ethyl-9-(4-ethylphenyl)-4-methoxy-
CAS No: 81890-80-4 Catalog No: AG004ZY2 MDL No:
Product Description
Catalog Number:
AG004ZY2
Chemical Name:
1H-Benz[f]isoindole-1,3(2H)-dione, 6-ethyl-9-(4-ethylphenyl)-4-methoxy-
CAS Number:
81890-80-4
Molecular Formula:
C23H21NO3
Molecular Weight:
359.4177
IUPAC Name:
6-ethyl-9-(4-ethylphenyl)-4-methoxybenzo[f]isoindole-1,3-dione
InChI:
InChI=1S/C23H21NO3/c1-4-13-6-9-15(10-7-13)18-16-11-8-14(5-2)12-17(16)21(27-3)20-19(18)22(25)24-23(20)26/h6-12H,4-5H2,1-3H3,(H,24,25,26)
InChI Key:
JYXCSCYLQXKVIB-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1c2C(=O)NC(=O)c2c(c2c1ccc(c2)CC)OC
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.152g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.425g/mol
Monoisotopic Mass:
359.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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