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

Technical Data

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Computed Properties

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 ℃ at 760 mmHg
Purity:	95 %
Density:	1.128 g/cm³
Appearance:	Colorless clear liquid
MDL:	MFCD00667796
LogP:	-0.36590

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

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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

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