Home Carboxys 1-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

1-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

CAS No.:
1346608-64-7
Catalog Number:
AG00IL29
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG00IL29
Chemical Name:
1-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CAS Number:
1346608-64-7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD24503553
IUPAC Name:
1-methylpyrrolo[3,2-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-11-5-6(9(12)13)8-7(11)3-2-4-10-8/h2-5H,1H3,(H,12,13)
InChI Key:
OOWDXELTICDUGT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(c2c1nccc2)C
Properties
Complexity:
220  
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:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties