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Home > Aldehydes > 1027068-77-4
1027068-77-4 | 1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde, 4,5-dihydro-5-oxo-
CAS No: 1027068-77-4 Catalog No: AG00085W MDL No:
Product Description
Catalog Number:
AG00085W
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde, 4,5-dihydro-5-oxo-
CAS Number:
1027068-77-4
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
IUPAC Name:
5-oxo-1,4-dihydropyrrolo[3,2-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C8H6N2O2/c11-4-5-3-9-6-1-2-7(12)10-8(5)6/h1-4,9H,(H,10,12)
InChI Key:
AXNMCDFZDRNVMZ-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1[nH]c(=O)cc2
Properties
Complexity:
249
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:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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