3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid
TL;DR: 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid (CAS 156774-73-1) is a chemical compound with molecular formula C10H7NO6 and molecular weight 237.02734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid
Also Known As: 4,5-METHYLENEDIOXY-2-NITROCINNAMIC ACID, 3,4-methylenedioxy-6-nitrocinnamic acid, 3-(6-Nitrobenzo[d][1,3]dioxol-5-yl)acrylic acid, 3-(6-Nitro-1,3-benzodioxol-5-yl)acrylic acid, 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H7NO6 |
| Molecular Weight | 237.02734 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.02734 Da |
| Heavy Atoms | 17 |
| Complexity | 349.0 |
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=CC(=O)O)[N+](=O)[O-] |
| InChIKey | GJAIAEVUUHUHTE-UHFFFAOYSA-N |
Chemical Property Profile of 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid
Property Insights of 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid?
The CAS number of 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid is 156774-73-1.
What is the molecular formula of 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid?
The molecular formula of 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid is C10H7NO6.
What is the molecular weight of 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid?
The molecular weight of 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid is 237.02734 g/mol.
Where can I buy 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid?
You can request a quote for 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.