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944937-14-8

944937-14-8 | 1-(1H-Pyrrolo[2,3-b]pyridin-5-yl)ethanone

CAS No: 944937-14-8 Catalog No: AG0036RV MDL No:MFCD09266225

Product Description

Catalog Number:
AG0036RV
Chemical Name:
1-(1H-Pyrrolo[2,3-b]pyridin-5-yl)ethanone
CAS Number:
944937-14-8
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD09266225
IUPAC Name:
1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
InChI:
InChI=1S/C9H8N2O/c1-6(12)8-4-7-2-3-10-9(7)11-5-8/h2-5H,1H3,(H,10,11)
InChI Key:
NKVUYPVQGPCIJO-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2cc[nH]c2nc1

Properties

Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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