mono-Ethyl malonate - CAS 1071-46-1
Catalog: |
BB001983 |
Product Name: |
mono-Ethyl malonate |
CAS: |
1071-46-1 |
Synonyms: |
3-ethoxy-3-oxopropanoic acid |
IUPAC Name: | 3-ethoxy-3-oxopropanoic acid |
Description: | mono-Ethyl malonate (CAS# 1071-46-1) is also found in the extract of Hericum erinaceus mushroom which shows antitumor effects in tumor-bearing mice. |
Molecular Weight: | 132.11 |
Molecular Formula: | C5H8O4 |
Canonical SMILES: | CCOC(=O)CC(=O)O |
InChI: | InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7) |
InChI Key: | HGINADPHJQTSKN-UHFFFAOYSA-N |
Boiling Point: | 106 °C (3 mmHg) |
Melting Point: | 47 - 50 °C |
Purity: | 95 % |
Density: | 1.119 g/cm3 |
Appearance: | COA |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00020490 |
LogP: | 0.02420 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021073185-A | Its use in novel conjugates and specific conjugation of biomolecules with drugs | 20201224 |
CN-111848613-A | Diaryl pyrimidopyridinone derivative and preparation method and application thereof | 20200811 |
CN-111848613-B | Diaryl pyrimidopyridinone derivative and preparation method and application thereof | 20200811 |
JP-2020122020-A | Aqueous antimicrobial film-forming composition for nipple treatment by spray application | 20200519 |
WO-2021207343-A1 | Malt1 inhibitors and uses thereof | 20200408 |
PMID | Publication Date | Title | Journal |
22989032 | 20121015 | Insights into the novel hydrolytic mechanism of a diethyl 2-phenyl-2-(2-arylacetoxy)methyl malonate ester-based microsomal triglyceride transfer protein (MTP) inhibitor | Chemical research in toxicology |
22840705 | 20120905 | A direct assessment of mycotoxin biomarkers in human urine samples by liquid chromatography tandem mass spectrometry | Analytica chimica acta |
21367450 | 20110601 | cRGD-functionalized, DOX-conjugated, and ⁶⁴Cu-labeled superparamagnetic iron oxide nanoparticles for targeted anticancer drug delivery and PET/MR imaging | Biomaterials |
19680964 | 20090601 | LC-MS/MS multi-analyte method for mycotoxin determination in food supplements | Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment |
19420784 | 20090501 | Practical large scale synthesis of half-esters of malonic acid | Chemical & pharmaceutical bulletin |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.04225873 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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