3-(Allyloxy)Benzoic Acid
TL;DR: 3-(Allyloxy)Benzoic Acid (CAS 1397007-57-6) 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-prop-2-enoxybenzoic acid
Also Known As: 3-(allyloxy)benzoic acid, 3-Allyloxy-benzoic acid, 3-prop-2-enoxybenzoic acid, Benzoic acid, 3-(2-propenyloxy)-, 3-allyloxybenzoic acid
Technical Specifications
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.06299 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.06299 Da |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
| SMILES | C=CCOC1=CC=CC(=C1)C(=O)O |
| InChIKey | ZMEBKXNYMWXFEX-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Allyloxy)Benzoic Acid
Property Insights of 3-(Allyloxy)Benzoic Acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Allyloxy)Benzoic Acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(Allyloxy)Benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Allyloxy)Benzoic 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 3-(Allyloxy)Benzoic Acid?
The CAS number of 3-(Allyloxy)Benzoic Acid is 1397007-57-6.
What is the molecular formula of 3-(Allyloxy)Benzoic Acid?
The molecular formula of 3-(Allyloxy)Benzoic Acid is C10H10O3.
What is the molecular weight of 3-(Allyloxy)Benzoic Acid?
The molecular weight of 3-(Allyloxy)Benzoic Acid is 178.06299 g/mol.
Where can I buy 3-(Allyloxy)Benzoic Acid?
You can request a quote for 3-(Allyloxy)Benzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Allyloxy)Benzoic Acid?
Yes, CoreyChem provides custom synthesis services for 3-(Allyloxy)Benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.