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827342-36-9 | 5,6-DIHYDRO-4,4,6-TRIMETHYL-4H-PYRROLO[3,2,1-IJ]QUINOLINE-1,2-DIONE
CAS No: 827342-36-9 Catalog No: AG005862 MDL No:
Product Description
Catalog Number:
AG005862
Chemical Name:
5,6-DIHYDRO-4,4,6-TRIMETHYL-4H-PYRROLO[3,2,1-IJ]QUINOLINE-1,2-DIONE
CAS Number:
827342-36-9
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
InChI:
InChI=1S/C14H15NO2/c1-8-7-14(2,3)15-11-9(8)5-4-6-10(11)12(16)13(15)17/h4-6,8H,7H2,1-3H3
InChI Key:
YKDZCUAXADGLRL-UHFFFAOYSA-N
SMILES:
CC1CC(C)(C)N2c3c1cccc3C(=O)C2=O
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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