(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid
TL;DR: (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid (CAS 109619-79-6) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid
Also Known As: 3-(1,3-Benzodioxol-5-yl)methacrylic acid, (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid, 3-(4-methoxyphenyl)-2-methyl-acrylic acid, 3-(1,3-Benzodioxol-5-yl)-2-methylpropenoic acid, (2E)-3-(2H-1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid
Technical Specifications
| Molecular Formula | C11H10O4 |
| Molecular Weight | 206.0579 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0579 Da |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
| SMILES | C/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)O |
| InChIKey | DRFONMHZQODIRJ-QPJJXVBHSA-N |
Chemical Property Profile of (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid
Property Insights of (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic 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 (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid?
The CAS number of (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid is 109619-79-6.
What is the molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid?
The molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid is C11H10O4.
What is the molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid?
The molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid is 206.0579 g/mol.
Where can I buy (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid?
You can request a quote for (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.