CAS
912569-67-6 Purity
96%
912569-67-6 Purity
96%
Inquiry Basket
3-(1H-Imidazol-4-yl)benzoic acid
CAS
912569-71-2
Catalog Number
ACM912569712
Category
Other Products
Molecular Weight
188.1860
Molecular Formula
C10H8N2O2
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
3-(1H-Imidazol-4-yl)benzoic Acid
IUPAC Name
3-(1H-imidazol-5-yl)benzoic acid
Canonical SMILES
C1=CC(=CC(=C1)C(=O)O)C2=CN=CN2
InChI Key
BHMXPHTWXBSXAP-UHFFFAOYSA-N
Exact Mass
188.05900
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of 3-(1H-Imidazol-4-yl)benzoic acid?
The molecular formula of 3-(1H-Imidazol-4-yl)benzoic acid is C10H8N2O2.
When was the PubChem CID for 3-(1H-Imidazol-4-yl)benzoic acid created and last modified?
The PubChem CID for 3-(1H-Imidazol-4-yl)benzoic acid was created on 2009-05-28 and last modified on 2023-12-30.
What is the molecular weight of 3-(1H-Imidazol-4-yl)benzoic acid?
The molecular weight of 3-(1H-Imidazol-4-yl)benzoic acid is 188.18 g/mol.
What is the IUPAC name of 3-(1H-Imidazol-4-yl)benzoic acid?
The IUPAC name of 3-(1H-Imidazol-4-yl)benzoic acid is 3-(1H-imidazol-5-yl)benzoic acid.
What is the InChIKey of 3-(1H-Imidazol-4-yl)benzoic acid?
The InChIKey of 3-(1H-Imidazol-4-yl)benzoic acid is BHMXPHTWXBSXAP-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 3-(1H-Imidazol-4-yl)benzoic acid have?
3-(1H-Imidazol-4-yl)benzoic acid has 2 hydrogen bond donor counts.
What is the exact mass of 3-(1H-Imidazol-4-yl)benzoic acid?
The exact mass of 3-(1H-Imidazol-4-yl)benzoic acid is 188.058577502 g/mol.
How many rotatable bond counts does 3-(1H-Imidazol-4-yl)benzoic acid have?
3-(1H-Imidazol-4-yl)benzoic acid has 2 rotatable bond counts.
Is 3-(1H-Imidazol-4-yl)benzoic acid a canonicalized compound?
Yes, 3-(1H-Imidazol-4-yl)benzoic acid is a canonicalized compound.
What is the topological polar surface area of 3-(1H-Imidazol-4-yl)benzoic acid?
The topological polar surface area of 3-(1H-Imidazol-4-yl)benzoic acid is 66.2.
Recommended Products
![2-Methyl-6-{4-[(methylamino)methyl]phenoxy}pyrazine 95%](https://resource.alfa-chemistry.com/structure/912569-67-6.gif)
![4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane](https://resource.alfa-chemistry.com/structure/912569-68-7.gif)
CAS
912569-68-7 Purity
96%
912569-68-7 Purity
96%
![4-[4-(Chloromethyl)piperidino]thieno[3,2-d]pyrimidine](https://resource.alfa-chemistry.com/structure/912569-69-8.gif)
CAS
912569-72-3 Purity
96%
912569-72-3 Purity
96%
![N-Methyl-[1-methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylamine,97+%](https://resource.alfa-chemistry.com/structure/912569-73-4.gif)
CAS
912569-73-4 Purity
96%
912569-73-4 Purity
96%
CAS
912569-78-9 Purity
96%
912569-78-9 Purity
96%
