Home Other Building Blocks 3-{3H-imidazo[4,5-c]pyridin-2-yl}propanoic acid

3-{3H-imidazo[4,5-c]pyridin-2-yl}propanoic acid

CAS No.:
933718-59-3
Catalog Number:
AG01ANEG
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
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Product Description
Catalog Number:
AG01ANEG
Chemical Name:
3-{3H-imidazo[4,5-c]pyridin-2-yl}propanoic acid
CAS Number:
933718-59-3
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD18305658
IUPAC Name:
3-(3H-imidazo[4,5-c]pyridin-2-yl)propanoic acid
InChI:
InChI=1S/C9H9N3O2/c13-9(14)2-1-8-11-6-3-4-10-5-7(6)12-8/h3-5H,1-2H2,(H,11,12)(H,13,14)
InChI Key:
BFWIIULHXIRTDK-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nc2c([nH]1)cncc2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties