CAS 77498-98-7 | 2-Phenyl-1H-imidazole-4-carboxylic acid | CAS Number 77498-98-7

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77498-98-7 | 2-Phenyl-1H-imidazole-4-carboxylic acid

CAS No: 77498-98-7 Catalog No: AG005HGE MDL No:MFCD06203404

Product Description

Catalog Number:

AG005HGE

Chemical Name:

2-Phenyl-1H-imidazole-4-carboxylic acid

CAS Number:

77498-98-7

Molecular Formula:

C10H8N2O2

Molecular Weight:

188.1827

MDL Number:

MFCD06203404

IUPAC Name:

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

InChI:

InChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)

InChI Key:

XCAXKZJNJCKTQH-UHFFFAOYSA-N

SMILES:

OC(=O)c1c[nH]c(n1)c1ccccc1

EC Number:

278-701-8

UNII:

HGH57KDY8T

Properties

Complexity:

214

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

188.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

188.186g/mol

Monoisotopic Mass:

188.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution.	Bioorganic & medicinal chemistry letters 20101115
Imidazole-based potential Bi- and tridentate nitrogen ligands: synthesis, characterization and application in asymmetric catalysis.	Molecules (Basel, Switzerland) 20080925