1,2,3-苯三羧酸
TL;DR: 1,2,3-苯三羧酸 (CAS 569-51-7) is a chemical compound with molecular formula C9H6O6 and molecular weight 210.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-苯三羧酸
benzene-1,2,3-tricarboxylic acid
Also Known As: Benzene-1,2,3-tricarboxylic acid, 1,2,3-Benzenetricarboxylic acid, HEMIMELLITIC ACID, HemimelliticAcid, 1,2,3-Tricarboxybenzene
| Molecular Formula | C9H6O6 |
|---|---|
| Molecular Weight | 210.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.01643 |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
| Vapor Pressure | 0.00000003 [mmHg] |
Chemical Identifiers
| CAS Number | 569-51-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O |
| InChIKey | UJMDYLWCYJJYMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-苯三羧酸 (CAS 569-51-7), with molecular formula C9H6O6 and molecular weight 210.02 g/mol. IUPAC: benzene-1,2,3-tricarboxylic acid.
Chemical Property Profile of 1,2,3-苯三羧酸
Property Insights of 1,2,3-苯三羧酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-苯三羧酸. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-苯三羧酸. Following Lipinski's Rule of Five, 1,2,3-苯三羧酸 has 3 hydrogen bond donor(s) and 6 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 1,2,3-苯三羧酸?
The CAS number of 1,2,3-苯三羧酸 is 569-51-7.
What is the molecular formula of 1,2,3-苯三羧酸?
The molecular formula of 1,2,3-苯三羧酸 is C9H6O6.
What is the molecular weight of 1,2,3-苯三羧酸?
The molecular weight of 1,2,3-苯三羧酸 is 210.02 g/mol.
Where can I buy 1,2,3-苯三羧酸?
You can request a quote for 1,2,3-苯三羧酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-苯三羧酸?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-苯三羧酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.