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Home > Imidazoles > 914637-28-8
914637-28-8 | 2-(1H-Imidazol-1-yl)isonicotinic acid
CAS No: 914637-28-8 Catalog No: AG00IGPQ MDL No:MFCD08235205
Product Description
Catalog Number:
AG00IGPQ
Chemical Name:
2-(1H-Imidazol-1-yl)isonicotinic acid
CAS Number:
914637-28-8
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD08235205
IUPAC Name:
2-imidazol-1-ylpyridine-4-carboxylic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)7-1-2-11-8(5-7)12-4-3-10-6-12/h1-6H,(H,13,14)
InChI Key:
XVLXZHOMEIHQBJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)n1cncc1
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:
0.5
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