TL;DR: 3-[2-(2-Propynyloxy)phenyl]acrylic acid (CAS 1350704-52-7) is a chemical compound with molecular formula C12H10O3 and molecular weight 202.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-prop-2-ynoxyphenyl)prop-2-enoic acid
Also Known As: 3-[2-(2-propynyloxy)phenyl]acrylic acid, 3-(2-prop-2-ynoxyphenyl)prop-2-enoic Acid, 3-[2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid, (E)-3-[2-(2-propynyloxy)phenyl]-2-propenoic acid
| Molecular Formula | C12H10O3 |
| Molecular Weight | 202.06299 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.06299 Da |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
| SMILES | C#CCOC1=CC=CC=C1C=CC(=O)O |
| InChIKey | DGBJZHZBHGQIEW-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(2-Propynyloxy)phenyl]acrylic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-[2-(2-Propynyloxy)phenyl]acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(2-Propynyloxy)phenyl]acrylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[2-(2-Propynyloxy)phenyl]acrylic acid is 1350704-52-7.
The molecular formula of 3-[2-(2-Propynyloxy)phenyl]acrylic acid is C12H10O3.
The molecular weight of 3-[2-(2-Propynyloxy)phenyl]acrylic acid is 202.06299 g/mol.
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