4-(1H-Imidazol-1-yl)benzoic acid

• CAS: 17616-04-5
• Catalog Number: ACM17616045-2
• Category: Main Products
• Molecular Weight: 188.18
• Molecular Formula: C10H8N2O2
• Synonyms: 1-(4-Carboxyphenyl)-1H-imidazole
• IUPAC Name: 4-imidazol-1-ylbenzoic acid
• InChI: InChI=1S/C10H8N2O2/c13-10(14)8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,(H,13,14)
• InChI Key: LFIDZIWWYNTQOQ-UHFFFAOYSA-N
• Boiling Point: 305 °C (dec.)-lit.
• Melting Point: 305 °C (dec.)-lit.
• Appearance: White solid
• Complexity: 212
• CompoundIs Canonicalized: Yes
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 188.058577502g/mol
• Formal Charge: 0
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 188.058577502g/mol
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 55.1Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• XLogP3: 1.2

Custom Q&A

What is the molecular formula of 4-(1H-Imidazol-1-yl)benzoic acid?

The molecular formula is C10H8N2O2.

What are the synonyms for 4-(1H-Imidazol-1-yl)benzoic acid?

The synonyms include 4-(1-imidazolyl)benzoic acid, 4-imidazol-1-ylbenzoic acid, 4-(imidazol-1-yl)benzoic acid, Benzoic acid, 4-(1H-imidazol-1-yl)-, and more.

What is the CAS number of 4-(1H-Imidazol-1-yl)benzoic acid?

The CAS number is 17616-04-5.

What is the IUPAC name of 4-(1H-Imidazol-1-yl)benzoic acid?

The IUPAC name is 4-imidazol-1-ylbenzoic acid.

What is the InChI of 4-(1H-Imidazol-1-yl)benzoic acid?

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

What is the molecular weight of 4-(1H-Imidazol-1-yl)benzoic acid?

The molecular weight is 188.18 g/mol.

How many hydrogen bond donor counts are there in 4-(1H-Imidazol-1-yl)benzoic acid?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in 4-(1H-Imidazol-1-yl)benzoic acid?

There are 3 hydrogen bond acceptor counts.

How many rotatable bond counts are there in 4-(1H-Imidazol-1-yl)benzoic acid?

There are 2 rotatable bond counts.

Is 4-(1H-Imidazol-1-yl)benzoic acid the canonical SMILES?

Yes, the canonical SMILES is C1=CC(=CC=C1C(=O)O)N2C=CN=C2.