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123494-73-5 | 3H-Imidazo[4,5-b]pyridine-2-propanoic acid
CAS No: 123494-73-5 Catalog No: AG000KOK MDL No:MFCD01412246
Product Description
Catalog Number:
AG000KOK
Chemical Name:
3H-Imidazo[4,5-b]pyridine-2-propanoic acid
CAS Number:
123494-73-5
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD01412246
IUPAC Name:
3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoic acid
InChI:
InChI=1S/C9H9N3O2/c13-8(14)4-3-7-11-6-2-1-5-10-9(6)12-7/h1-2,5H,3-4H2,(H,13,14)(H,10,11,12)
InChI Key:
AMKIYJXVMHWITB-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nc2c([nH]1)nccc2
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:
0.3
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