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136383-93-2 | 4H-IMIDAZO[4,5,1-IJ]QUINOLINE-2-CARBOXALDEHYDE
CAS No: 136383-93-2 Catalog No: AG0011TA MDL No:
Product Description
Catalog Number:
AG0011TA
Chemical Name:
4H-IMIDAZO[4,5,1-IJ]QUINOLINE-2-CARBOXALDEHYDE
CAS Number:
136383-93-2
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12),9-pentaene-2-carbaldehyde
InChI:
InChI=1S/C11H8N2O/c14-7-10-12-9-5-1-3-8-4-2-6-13(10)11(8)9/h1-5,7H,6H2
InChI Key:
PVCJETGVILIRRO-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c3n1CC=Cc3ccc2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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