Chroman-3-carboxylic acid
TL;DR: Chroman-3-carboxylic acid (CAS 1260609-71-9) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dihydro-2H-chromene-3-carboxylic acid
Also Known As: Chroman-3-carboxylic acid, 3-Chromanecarboxylic acid, chromane-3-carboxylic acid, null, Indazol-1-Yl-Acetic Acid
Technical Specifications
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.06299 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.06299 Da |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
| SMILES | C1C(COC2=CC=CC=C21)C(=O)O |
| InChIKey | UGAGZMGJJFSKQM-UHFFFAOYSA-N |
Chemical Property Profile of Chroman-3-carboxylic acid
Property Insights of Chroman-3-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chroman-3-carboxylic acid. With a topological polar surface area (TPSA) of 46.5 Ų, Chroman-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chroman-3-carboxylic acid has 1 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 Chroman-3-carboxylic acid?
The CAS number of Chroman-3-carboxylic acid is 1260609-71-9.
What is the molecular formula of Chroman-3-carboxylic acid?
The molecular formula of Chroman-3-carboxylic acid is C10H10O3.
What is the molecular weight of Chroman-3-carboxylic acid?
The molecular weight of Chroman-3-carboxylic acid is 178.06299 g/mol.
Where can I buy Chroman-3-carboxylic acid?
You can request a quote for Chroman-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chroman-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for Chroman-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.