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Home > Imidazoles > 88942-05-6
88942-05-6 | Benzoic acid, 4-[hydroxy[6-(1H-imidazol-1-yl)-3-pyridinyl]methyl]-
CAS No: 88942-05-6 Catalog No: AG0047YQ MDL No:
Product Description
Catalog Number:
AG0047YQ
Chemical Name:
Benzoic acid, 4-[hydroxy[6-(1H-imidazol-1-yl)-3-pyridinyl]methyl]-
CAS Number:
88942-05-6
Molecular Formula:
C16H13N3O3
Molecular Weight:
295.2927
IUPAC Name:
4-[hydroxy-(6-imidazol-1-ylpyridin-3-yl)methyl]benzoic acid
InChI:
InChI=1S/C16H13N3O3/c20-15(11-1-3-12(4-2-11)16(21)22)13-5-6-14(18-9-13)19-8-7-17-10-19/h1-10,15,20H,(H,21,22)
InChI Key:
JTMZQLBEUYMMDA-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)C(=O)O)c1ccc(nc1)n1cncc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.298g/mol
Monoisotopic Mass:
295.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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