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488734-86-7 | 4,4,6,8,9-pentamethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CAS No: 488734-86-7 Catalog No: AG018WOZ MDL No:
Product Description
Catalog Number:
AG018WOZ
Chemical Name:
4,4,6,8,9-pentamethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CAS Number:
488734-86-7
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
5,6,9,11,11-pentamethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-2,3-dione
InChI:
InChI=1S/C16H17NO2/c1-8-6-11-9(2)7-16(4,5)17-13(11)12(10(8)3)14(18)15(17)19/h6-7H,1-5H3
InChI Key:
PFPZBDGESKUBTP-UHFFFAOYSA-N
SMILES:
CC1=CC(C)(C)N2c3c1cc(C)c(c3C(=O)C2=O)C
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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