![4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid structure](/static/products/910/91004-29-4.png)
4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid
TL;DR: 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid (CAS 91004-29-4) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzoic acid
Also Known As: Benzoic acid,4-[1-(hydroxyiMino)ethyl]-, Benzoic acid, 4-[1-(hydroxyimino)ethyl]-, Benzoic acid, 4-[(1E)-1-(hydroxyimino)ethyl]-, 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 1.583 |
| Topological Polar Surface Area | 69.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 340.3824 |
Chemical Identifiers
| CAS Number | 91004-29-4 |
|---|---|
| SMILES | C/C(=N\O)/C1=CC=C(C=C1)C(=O)O |
Product Overview
4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid (CAS 91004-29-4), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]benzoic acid.
Chemical Property Profile of 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid
Property Insights of 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid
The XLogP value of 1.583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid. The TPSA of 69.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid?
The CAS number of 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid is 91004-29-4.
What is the molecular formula of 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid?
The molecular formula of 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid is C9H9NO3.
What is the molecular weight of 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid?
The molecular weight of 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid is 179.06 g/mol.
Where can I buy 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid?
You can request a quote for 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.