Aconitic anhydride
TL;DR: Aconitic anhydride (CAS 6318-55-4) is a chemical compound with molecular formula C6H4O5 and molecular weight 156.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dioxofuran-3-yl)acetic acid
Also Known As: cis-Aconitic anhydride, Aconitic anhydride, cis-Aconitic acid anhydride, 2-(2,5-dioxofuran-3-yl)acetic acid, (Z)-Aconitic anhydride
| Molecular Formula | C6H4O5 |
|---|---|
| Molecular Weight | 156.01 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.00587 |
| Heavy Atoms | 11 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 6318-55-4 |
|---|---|
| SMILES | C1=C(C(=O)OC1=O)CC(=O)O |
| InChIKey | GVJRTUUUJYMTNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aconitic anhydride (CAS 6318-55-4), with molecular formula C6H4O5 and molecular weight 156.01 g/mol. IUPAC: 2-(2,5-dioxofuran-3-yl)acetic acid.
Chemical Property Profile of Aconitic anhydride
Property Insights of Aconitic anhydride
The XLogP value of -0.7 indicates that Aconitic anhydride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Aconitic anhydride. Following Lipinski's Rule of Five, Aconitic anhydride has 1 hydrogen bond donor(s) and 5 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 Aconitic anhydride?
The CAS number of Aconitic anhydride is 6318-55-4.
What is the molecular formula of Aconitic anhydride?
The molecular formula of Aconitic anhydride is C6H4O5.
What is the molecular weight of Aconitic anhydride?
The molecular weight of Aconitic anhydride is 156.01 g/mol.
Where can I buy Aconitic anhydride?
You can request a quote for Aconitic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aconitic anhydride?
Yes, KEHONG BIO provides custom synthesis services for Aconitic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.