5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid
TL;DR: 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid (CAS 2461-62-3) is a chemical compound with molecular formula C8H8O6 and molecular weight 200.03209 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(hydroxymethylidene)-2-oxohept-3-enedioic acid
Also Known As: CHMSA, CMHMS, 2-hydroxy-5-carboxymethylmuconate semialdehyde, 5-(hydroxymethylidene)-2-oxohept-3-enedioic acid, 2-Hydroxy-5-formyl-2,4-heptadienedioic acid
Technical Specifications
| Molecular Formula | C8H8O6 |
| Molecular Weight | 200.03209 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 200.03209 Da |
| Heavy Atoms | 14 |
| Complexity | 312.0 |
| SMILES | C(C(=CO)C=CC(=O)C(=O)O)C(=O)O |
| InChIKey | JCYNPXMAUUAOMA-UHFFFAOYSA-N |
Product Description
Applications: 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid (CAS 2461-62-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid (CAS 2461-62-3) is a fine chemical with the molecular formula C8H8O6 and a molecular weight of 200.03 g/mol. It is also known as CHMSA and CMHMS.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid
Property Insights of 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid
The XLogP value of -0.1 indicates that 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid. Following Lipinski's Rule of Five, 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid 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
What is the CAS number of 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid?
The CAS number of 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid is 2461-62-3.
What is the molecular formula of 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid?
The molecular formula of 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid is C8H8O6.
What is the molecular weight of 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid?
The molecular weight of 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid is 200.03209 g/mol.
What are the applications of 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid?
5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid (CAS 2461-62-3) with custom synthesis available from...
Where can I buy 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid?
You can request a quote for 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid?
Yes, CoreyChem provides custom synthesis services for 5-(Hydroxymethylidene)-2-oxohept-3-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.