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Home > Aldehydes > 1190315-42-4
1190315-42-4 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 6-methoxy-
CAS No: 1190315-42-4 Catalog No: AG000HNR MDL No:
Product Description
Catalog Number:
AG000HNR
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 6-methoxy-
CAS Number:
1190315-42-4
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
6-methoxy-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
InChI:
InChI=1S/C9H8N2O2/c1-13-8-4-6(5-12)7-2-3-10-9(7)11-8/h2-5H,1H3,(H,10,11)
InChI Key:
QEQFMDOMOZRBHK-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c2c(n1)[nH]cc2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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