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

Catalog Number	ACM17616045-2
CAS	17616-04-5
Structure
Synonyms	1-(4-Carboxyphenyl)-1H-imidazole
IUPAC Name	4-imidazol-1-ylbenzoic acid
Molecular Weight	188.18
Molecular Formula	C10H8N2O2
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.
Purity	98%
Appearance	White solid
Complexity	212
Covalently-Bonded Unit Count	1
Defined Atom 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
Monoisotopic Mass	188.058577502g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1Ų

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.