5-Formyl-2-methoxyphenyl Acetate
TL;DR: 5-Formyl-2-methoxyphenyl Acetate (CAS 113118-81-3) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-formyl-2-methoxyphenyl) acetate
Also Known As: 5-Formyl-2-methoxyphenyl Acetate, 3-Acetoxy-4-methoxybenzaldehyde, O-Acetyl Isovanillin, (5-formyl-2-methoxyphenyl) acetate, Benzaldehyde, 3-(acetyloxy)-4-methoxy-
Technical Specifications
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.0579 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0579 Da |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| SMILES | CC(=O)OC1=C(C=CC(=C1)C=O)OC |
| InChIKey | ZVPGTXJXZIXWGR-UHFFFAOYSA-N |
Chemical Property Profile of 5-Formyl-2-methoxyphenyl Acetate
Property Insights of 5-Formyl-2-methoxyphenyl Acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Formyl-2-methoxyphenyl Acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 5-Formyl-2-methoxyphenyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Formyl-2-methoxyphenyl Acetate has 0 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 5-Formyl-2-methoxyphenyl Acetate?
The CAS number of 5-Formyl-2-methoxyphenyl Acetate is 113118-81-3.
What is the molecular formula of 5-Formyl-2-methoxyphenyl Acetate?
The molecular formula of 5-Formyl-2-methoxyphenyl Acetate is C10H10O4.
What is the molecular weight of 5-Formyl-2-methoxyphenyl Acetate?
The molecular weight of 5-Formyl-2-methoxyphenyl Acetate is 194.0579 g/mol.
Where can I buy 5-Formyl-2-methoxyphenyl Acetate?
You can request a quote for 5-Formyl-2-methoxyphenyl Acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Formyl-2-methoxyphenyl Acetate?
Yes, CoreyChem provides custom synthesis services for 5-Formyl-2-methoxyphenyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.