Monomethyl malonate - CAS 16695-14-0
Catalog: |
BB012341 |
Product Name: |
Monomethyl malonate |
CAS: |
16695-14-0 |
Synonyms: |
3-methoxy-3-oxopropanoic acid; 3-methoxy-3-oxopropanoic acid |
IUPAC Name: | 3-methoxy-3-oxopropanoic acid |
Description: | Monomethyl malonate (CAS# 16695-14-0) is a useful research chemical. |
Molecular Weight: | 118.09 |
Molecular Formula: | C4H6O4 |
Canonical SMILES: | COC(=O)CC(=O)O |
InChI: | InChI=1S/C4H6O4/c1-8-4(7)2-3(5)6/h2H2,1H3,(H,5,6) |
InChI Key: | PBVZQAXFSQKDKK-UHFFFAOYSA-N |
Boiling Point: | 232.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.128 g/cm3 |
Appearance: | Colorless clear liquid |
MDL: | MFCD00667796 |
LogP: | -0.36590 |
GHS Hazard Statement: | H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2015200545-A1 | Recombinant host cells for the production of malonate | 20140626 |
WO-2015154732-A1 | Plant stimulators, use thereof and method of plant stimulation | 20140409 |
US-2015331348-A1 | Charging member, process cartridge, and electrophotographic image forming apparatus | 20131227 |
US-2015140489-A1 | Composition of Matter and Molecular Resist Made Therefrom | 20131031 |
US-2015140491-A1 | Composition of Matter and Molecular Resist Made Therefrom | 20131031 |
PMID | Publication Date | Title | Journal |
22625654 | 20120615 | Design, preparation, X-ray crystal structure, and reactivity of o-alkoxyphenyliodonium bis(methoxycarbonyl)methanide, a highly soluble carbene precursor | Organic letters |
21730919 | 20110705 | Two new triterpene glycosides with monomethyl malonate groups from the rhizome of Cimifuga foetida L | Molecules (Basel, Switzerland) |
19420784 | 20090501 | Practical large scale synthesis of half-esters of malonic acid | Chemical & pharmaceutical bulletin |
15028273 | 20040601 | The shape and information content of high-field solid-state proton NMR spectra of methyl groups | Solid state nuclear magnetic resonance |
12145163 | 20020801 | Succinate is a preferential metabolic stimulus-coupling signal for glucose-induced proinsulin biosynthesis translation | Diabetes |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.02660867 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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