Home Carboxys 1-(2-Pyridyl)imidazole-5-carboxylicAcid

1-(2-Pyridyl)imidazole-5-carboxylicAcid

CAS No.:
1779128-15-2
Catalog Number:
AG00HZQT
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
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Product Description
Catalog Number:
AG00HZQT
Chemical Name:
1-(2-Pyridyl)imidazole-5-carboxylicAcid
CAS Number:
1779128-15-2
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD26097221
IUPAC Name:
3-pyridin-2-ylimidazole-4-carboxylic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)7-5-10-6-12(7)8-3-1-2-4-11-8/h1-6H,(H,13,14)
InChI Key:
ZGIMCHRETPQPNW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncn1c1ccccn1
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties