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Home > Aldehydes > 1190316-28-9
1190316-28-9 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 2,3-dihydro-2-oxo-
CAS No: 1190316-28-9 Catalog No: AG000HP5 MDL No:MFCD12962745
Product Description
Catalog Number:
AG000HP5
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 2,3-dihydro-2-oxo-
CAS Number:
1190316-28-9
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD12962745
IUPAC Name:
2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-4-carbaldehyde
InChI:
InChI=1S/C8H6N2O2/c11-4-5-1-2-9-8-6(5)3-7(12)10-8/h1-2,4H,3H2,(H,9,10,12)
InChI Key:
HLODPUSNKKAZMO-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc2c1CC(=O)N2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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