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Home > Aldehydes > 111724-62-0
111724-62-0 | 1h,5h-benzo[ij]quinolizine-7-carboxaldehyde, 2,3-dihydro-5-oxo-
CAS No: 111724-62-0 Catalog No: AG0078XA MDL No:MFCD03198261
Product Description
Catalog Number:
AG0078XA
Chemical Name:
1h,5h-benzo[ij]quinolizine-7-carboxaldehyde, 2,3-dihydro-5-oxo-
CAS Number:
111724-62-0
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD03198261
IUPAC Name:
2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-4-carbaldehyde
InChI:
InChI=1S/C13H11NO2/c15-8-10-7-12(16)14-6-2-4-9-3-1-5-11(10)13(9)14/h1,3,5,7-8H,2,4,6H2
InChI Key:
FVZYAROQZUKQBQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(=O)n2c3c1cccc3CCC2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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