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24509-71-5

24509-71-5 | 1H-Pyrrolo[3,2-b]pyridine-3-acetic acid, ethyl ester

CAS No: 24509-71-5 Catalog No: AG002ODK MDL No:

Product Description

Catalog Number:
AG002ODK
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-acetic acid, ethyl ester
CAS Number:
24509-71-5
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
ethyl 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetate
InChI:
InChI=1S/C11H12N2O2/c1-2-15-10(14)6-8-7-13-9-4-3-5-12-11(8)9/h3-5,7,13H,2,6H2,1H3
InChI Key:
BNCJLTPUQKTVRJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1c[nH]c2c1nccc2

Properties

Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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