Acetic acid, 2-oxo-, methyl ester
TL;DR: Acetic acid, 2-oxo-, methyl ester (CAS 922-68-9) is a chemical compound with molecular formula C3H4O3 and molecular weight 88.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-oxoacetate
Also Known As: Methyl glyoxylate, methyl 2-oxoacetate, Methyl oxoacetate, Methyl oxoethanoate, Methyl2-oxoacetate
| Molecular Formula | C3H4O3 |
|---|---|
| Molecular Weight | 88.02 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 88.016045 |
| Heavy Atoms | 6 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 922-68-9 |
|---|---|
| SMILES | COC(=O)C=O |
| InChIKey | KFKXSMSQHIOMSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-oxo-, methyl ester (CAS 922-68-9), with molecular formula C3H4O3 and molecular weight 88.02 g/mol. IUPAC: methyl 2-oxoacetate.
Chemical Property Profile of Acetic acid, 2-oxo-, methyl ester
Property Insights of Acetic acid, 2-oxo-, methyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-oxo-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Acetic acid, 2-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-oxo-, methyl ester 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
Frequently Asked Questions
What is the CAS number of Acetic acid, 2-oxo-, methyl ester?
The CAS number of Acetic acid, 2-oxo-, methyl ester is 922-68-9.
What is the molecular formula of Acetic acid, 2-oxo-, methyl ester?
The molecular formula of Acetic acid, 2-oxo-, methyl ester is C3H4O3.
What is the molecular weight of Acetic acid, 2-oxo-, methyl ester?
The molecular weight of Acetic acid, 2-oxo-, methyl ester is 88.02 g/mol.
Where can I buy Acetic acid, 2-oxo-, methyl ester?
You can request a quote for Acetic acid, 2-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.