2-oxo-2-(1H-pyrrol-3-yl)acetic Acid
TL;DR: 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid (CAS 117954-76-4) is a chemical compound with molecular formula C6H5NO3 and molecular weight 139.02695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-oxo-2-(1H-pyrrol-3-yl)acetic acid
Also Known As: 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid, 2-oxo-2-(1H-pyrrol-3-yl)acetate, 2'-OXO-1H-PYRROLE-3-ACETIC ACID, 2/'-OXO-1H-PYRROLE-3-ACETIC ACID
Technical Specifications
| Molecular Formula | C6H5NO3 |
| Molecular Weight | 139.02695 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.02695 Da |
| Heavy Atoms | 10 |
| Complexity | 166.0 |
| SMILES | C1=CNC=C1C(=O)C(=O)O |
| InChIKey | BGFKIZNNZWWHAI-UHFFFAOYSA-N |
Chemical Property Profile of 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid
Property Insights of 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid. Following Lipinski's Rule of Five, 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid?
The CAS number of 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid is 117954-76-4.
What is the molecular formula of 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid?
The molecular formula of 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid is C6H5NO3.
What is the molecular weight of 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid?
The molecular weight of 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid is 139.02695 g/mol.
Where can I buy 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid?
You can request a quote for 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid?
Yes, CoreyChem provides custom synthesis services for 2-oxo-2-(1H-pyrrol-3-yl)acetic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.