(1,3-Benzodioxol-5-yloxy)acetic acid
TL;DR: (1,3-Benzodioxol-5-yloxy)acetic acid (CAS 106690-33-9) is a chemical compound with molecular formula C9H8O5 and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yloxy)acetic acid
Also Known As: (1,3-benzodioxol-5-yloxy)acetic acid, 2-(Benzo[d][1,3]dioxol-5-yloxy)acetic acid, 2-(1,3-benzodioxol-5-yloxy)acetic acid, (Benzo[1,3]dioxol-5-yloxy)-acetic acid, 3,4-methylenedioxyphenoxyacetic acid
| Molecular Formula | C9H8O5 |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 0.8787 |
| Topological Polar Surface Area | 64.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.03717 |
| Heavy Atoms | 14 |
| Complexity | 360.22 |
Chemical Identifiers
| CAS Number | 106690-33-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OCC(=O)O |
Product Overview
(1,3-Benzodioxol-5-yloxy)acetic acid (CAS 106690-33-9), with molecular formula C9H8O5 and molecular weight 196.04 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yloxy)acetic acid.
Chemical Property Profile of (1,3-Benzodioxol-5-yloxy)acetic acid
Property Insights of (1,3-Benzodioxol-5-yloxy)acetic acid
The XLogP value of 0.8787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Benzodioxol-5-yloxy)acetic acid. The TPSA of 64.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Benzodioxol-5-yloxy)acetic acid. Following Lipinski's Rule of Five, (1,3-Benzodioxol-5-yloxy)acetic 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
Frequently Asked Questions
What is the CAS number of (1,3-Benzodioxol-5-yloxy)acetic acid?
The CAS number of (1,3-Benzodioxol-5-yloxy)acetic acid is 106690-33-9.
What is the molecular formula of (1,3-Benzodioxol-5-yloxy)acetic acid?
The molecular formula of (1,3-Benzodioxol-5-yloxy)acetic acid is C9H8O5.
What is the molecular weight of (1,3-Benzodioxol-5-yloxy)acetic acid?
The molecular weight of (1,3-Benzodioxol-5-yloxy)acetic acid is 196.04 g/mol.
Where can I buy (1,3-Benzodioxol-5-yloxy)acetic acid?
You can request a quote for (1,3-Benzodioxol-5-yloxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Benzodioxol-5-yloxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Benzodioxol-5-yloxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.