Home Carboxys 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4-methoxy-, ethyl ester

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4-methoxy-, ethyl ester

CAS No.:
290332-97-7
Catalog Number:
AG002V9Q
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
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Product Description
Catalog Number:
AG002V9Q
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4-methoxy-, ethyl ester
CAS Number:
290332-97-7
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD08448198
IUPAC Name:
ethyl 4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C11H12N2O3/c1-3-16-11(14)8-6-7-9(15-2)4-5-12-10(7)13-8/h4-6H,3H2,1-2H3,(H,12,13)
InChI Key:
GGNVDTAGTTUEME-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)nccc2OC
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties