苯六甲酸
TL;DR: 苯六甲酸 (CAS 517-60-2) is a chemical compound with molecular formula C12H6O12 and molecular weight 341.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯六甲酸
benzene-1,2,3,4,5,6-hexacarboxylic acid
Also Known As: MELLITIC ACID, Mellic acid, Benzenehexacarboxylic acid, Hexacarboxybenzene, benzene-1,2,3,4,5,6-hexacarboxylic acid
| Molecular Formula | C12H6O12 |
|---|---|
| Molecular Weight | 341.99 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.98593 |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
| Melting Point | 287 |
Chemical Identifiers
| CAS Number | 517-60-2 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O |
| InChIKey | YDSWCNNOKPMOTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯六甲酸 (CAS 517-60-2), with molecular formula C12H6O12 and molecular weight 341.99 g/mol. IUPAC: benzene-1,2,3,4,5,6-hexacarboxylic acid.
Chemical Property Profile of 苯六甲酸
Property Insights of 苯六甲酸
The XLogP value of -0.9 indicates that 苯六甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 224.0 Ų indicates high polarity, suggesting 苯六甲酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 苯六甲酸 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 苯六甲酸?
The CAS number of 苯六甲酸 is 517-60-2.
What is the molecular formula of 苯六甲酸?
The molecular formula of 苯六甲酸 is C12H6O12.
What is the molecular weight of 苯六甲酸?
The molecular weight of 苯六甲酸 is 341.99 g/mol.
Where can I buy 苯六甲酸?
You can request a quote for 苯六甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯六甲酸?
Yes, KEHONG BIO provides custom synthesis services for 苯六甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.