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827342-55-2 | 4,4,6,8-tetramethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CAS No: 827342-55-2 Catalog No: AG018WP6 MDL No:
Product Description
Catalog Number:
AG018WP6
Chemical Name:
4,4,6,8-tetramethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CAS Number:
827342-55-2
Molecular Formula:
C21H21NO2
Molecular Weight:
319.3969
IUPAC Name:
6,9,11,11-tetramethyl-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2,3-dione
InChI:
InChI=1S/C21H21NO2/c1-13-10-15-17-16(11-13)21(4,14-8-6-5-7-9-14)12-20(2,3)22(17)19(24)18(15)23/h5-11H,12H2,1-4H3
InChI Key:
RIUIPEPWSMVYBO-UHFFFAOYSA-N
SMILES:
Cc1cc2C(=O)C(=O)N3c2c(c1)C(C)(CC3(C)C)c1ccccc1
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.157g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.404g/mol
Monoisotopic Mass:
319.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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