(2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid
TL;DR: (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid (CAS 145864-04-6) is a chemical compound with molecular formula C10H6O4 and molecular weight 190.02661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid
Also Known As: 3-Carboxymethylenephthalide, 2-(3-oxoisobenzofuranylidene)acetic acid, (3-oxo-2-benzofuran-1-ylidene)acetic acid, AI3-18620, (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid
Technical Specifications
| Molecular Formula | C10H6O4 |
| Molecular Weight | 190.02661 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.02661 Da |
| Heavy Atoms | 14 |
| Complexity | 305.0 |
| SMILES | C1=CC=C2C(=C1)/C(=C\C(=O)O)/OC2=O |
| InChIKey | XKMGDVJBAWUUDZ-VMPITWQZSA-N |
Chemical Property Profile of (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid
Property Insights of (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid. Following Lipinski's Rule of Five, (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid?
The CAS number of (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid is 145864-04-6.
What is the molecular formula of (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid?
The molecular formula of (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid is C10H6O4.
What is the molecular weight of (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid?
The molecular weight of (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid is 190.02661 g/mol.
Where can I buy (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid?
You can request a quote for (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid?
Yes, CoreyChem provides custom synthesis services for (2E)-(3-oxo-2-benzofuran-1(3H)-ylidene)ethanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.