Monomethyl malonate
TL;DR: Monomethyl malonate (CAS 16695-14-0) is a chemical compound with molecular formula C4H5O4- and molecular weight 117.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-3-oxopropanoate
Also Known As: Monomethyl malonate, Methyl malonate, 3-methoxy-3-oxopropanoate, 3-methoxy-3-oxo-propanoate, Propanedioic acid, methyl ester
| Molecular Formula | C4H5O4- |
|---|---|
| Molecular Weight | 117.02 g/mol |
| LogP | -1.7006 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.01878 |
| Heavy Atoms | 8 |
| Complexity | 106.605934 |
Chemical Identifiers
| CAS Number | 16695-14-0 |
|---|---|
| SMILES | COC(=O)CC(=O)[O-] |
Product Overview
Monomethyl malonate (CAS 16695-14-0), with molecular formula C4H5O4- and molecular weight 117.02 g/mol. IUPAC: 3-methoxy-3-oxopropanoate.
Chemical Property Profile of Monomethyl malonate
Property Insights of Monomethyl malonate
The XLogP value of -1.7006 indicates that Monomethyl malonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Monomethyl malonate. Following Lipinski's Rule of Five, Monomethyl malonate 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
Frequently Asked Questions
What is the CAS number of Monomethyl malonate?
The CAS number of Monomethyl malonate is 16695-14-0.
What is the molecular formula of Monomethyl malonate?
The molecular formula of Monomethyl malonate is C4H5O4-.
What is the molecular weight of Monomethyl malonate?
The molecular weight of Monomethyl malonate is 117.02 g/mol.
Where can I buy Monomethyl malonate?
You can request a quote for Monomethyl malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monomethyl malonate?
Yes, KEHONG BIO provides custom synthesis services for Monomethyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.