Methyl (2-methylphenyl)(oxo)acetate
TL;DR: Methyl (2-methylphenyl)(oxo)acetate (CAS 34966-54-6) 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.
methyl 2-(2-methylphenyl)-2-oxoacetate
Also Known As: Methyl 2-oxo-2-(o-tolyl)acetate, methyl 2-(2-methylphenyl)-2-oxoacetate, methyl 2-oxo-2-o-tolylacetate, METHYL 2-METHYLBENZOYLFORMATE, Methyl o-methyl phenyl glyoxylate
Technical Specifications
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.06299 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | CC1=CC=CC=C1C(=O)C(=O)OC |
| InChIKey | QMJRGFDWGOXABE-UHFFFAOYSA-N |
Chemical Property Profile of Methyl (2-methylphenyl)(oxo)acetate
Property Insights of Methyl (2-methylphenyl)(oxo)acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2-methylphenyl)(oxo)acetate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl (2-methylphenyl)(oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2-methylphenyl)(oxo)acetate has 0 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 Methyl (2-methylphenyl)(oxo)acetate?
The CAS number of Methyl (2-methylphenyl)(oxo)acetate is 34966-54-6.
What is the molecular formula of Methyl (2-methylphenyl)(oxo)acetate?
The molecular formula of Methyl (2-methylphenyl)(oxo)acetate is C10H10O3.
What is the molecular weight of Methyl (2-methylphenyl)(oxo)acetate?
The molecular weight of Methyl (2-methylphenyl)(oxo)acetate is 178.06299 g/mol.
Where can I buy Methyl (2-methylphenyl)(oxo)acetate?
You can request a quote for Methyl (2-methylphenyl)(oxo)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl (2-methylphenyl)(oxo)acetate?
Yes, CoreyChem provides custom synthesis services for Methyl (2-methylphenyl)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.