Home Carboxys 5-Phenyl-1H-imidazole-2-carboxylic acid

5-Phenyl-1H-imidazole-2-carboxylic acid

CAS No.:
41270-74-0
Catalog Number:
AG00D6PX
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG00D6PX
Chemical Name:
5-Phenyl-1H-imidazole-2-carboxylic acid
CAS Number:
41270-74-0
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD04974056
IUPAC Name:
5-phenyl-1H-imidazole-2-carboxylic acid
InChI:
InChI=1S/C10H8N2O2/c13-10(14)9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChI Key:
XEGRIDHWRFXXGL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc([nH]1)c1ccccc1
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties