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74442-17-4 | 4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CAS No: 74442-17-4 Catalog No: AG018WOX MDL No:
Product Description
Catalog Number:
AG018WOX
Chemical Name:
4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione
CAS Number:
74442-17-4
Molecular Formula:
C14H13NO2
Molecular Weight:
227.2585
IUPAC Name:
9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-2,3-dione
InChI:
InChI=1S/C14H13NO2/c1-8-7-14(2,3)15-11-9(8)5-4-6-10(11)12(16)13(15)17/h4-7H,1-3H3
InChI Key:
UZKCZJAPTCTWEN-UHFFFAOYSA-N
SMILES:
CC1=CC(C)(C)N2c3c1cccc3C(=O)C2=O
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.263g/mol
Monoisotopic Mass:
227.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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