Home Carboxys 4-benzoyl-1H-imidazole-5-carboxylic acid

4-benzoyl-1H-imidazole-5-carboxylic acid

CAS No.:
313968-01-3
Catalog Number:
AG01AC7R
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
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Product Description
Catalog Number:
AG01AC7R
Chemical Name:
4-benzoyl-1H-imidazole-5-carboxylic acid
CAS Number:
313968-01-3
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
MDL Number:
MFCD01791742
IUPAC Name:
4-benzoyl-1H-imidazole-5-carboxylic acid
InChI:
InChI=1S/C11H8N2O3/c14-10(7-4-2-1-3-5-7)8-9(11(15)16)13-6-12-8/h1-6H,(H,12,13)(H,15,16)
InChI Key:
XQMLPKHBEYBLNT-UHFFFAOYSA-N
SMILES:
O=C(c1nc[nH]c1C(=O)O)c1ccccc1
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties