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386715-48-6 | 5-OXO-2,3-DIHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE-6-CARBALDEHYDE
CAS No: 386715-48-6 Catalog No: AG003MY1 MDL No:MFCD01567808
Product Description
Catalog Number:
AG003MY1
Chemical Name:
5-OXO-2,3-DIHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE-6-CARBALDEHYDE
CAS Number:
386715-48-6
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD01567808
IUPAC Name:
2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carbaldehyde
InChI:
InChI=1S/C13H11NO2/c15-8-11-7-10-4-1-3-9-5-2-6-14(12(9)10)13(11)16/h1,3-4,7-8H,2,5-6H2
InChI Key:
FPZDNTSHNYEKBC-UHFFFAOYSA-N
SMILES:
O=Cc1cc2cccc3c2n(c1=O)CCC3
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:
1.6
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