Methyl Methanesulfonylacetate - CAS 62020-09-1

Catalog:	BB031384
Product Name:	Methyl Methanesulfonylacetate
CAS:	62020-09-1
Synonyms:	2-methylsulfonylacetic acid methyl ester; methyl 2-methylsulfonylacetate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-methylsulfonylacetate
Description:	Methyl Methanesulfonylacetate (CAS# 62020-09-1) is a useful research chemical.
Molecular Weight:	152.17
Molecular Formula:	C4H8O4S
Canonical SMILES:	COC(=O)CS(=O)(=O)C
InChI:	InChI=1S/C4H8O4S/c1-8-4(5)3-9(2,6)7/h3H2,1-2H3
InChI Key:	RQKDASVRZONLNQ-UHFFFAOYSA-N
Boiling Point:	296.3 °C at 760 mmHg
Density:	1.277 g/cm³
Appearance:	Solid
MDL:	MFCD00051842
LogP:	0.28480

Publication Number	Title	Priority Date
KR-20210119143-A	Additive for electrolyte of rechargebale lithium battery, electrolyte for rechargeable lithium battery and rechargeable lithium battery including same	20200324
WO-2021194074-A1	Additive for electrolyte of secondary lithium battery, electrolyte for secondary lithium battery, and secondary lithium battery comprising same	20200324
WO-2021133809-A1	Inhibitors of mutant forms of egfr	20191223
US-2021130302-A1	Antiviral Pyrazolopyridinone Compounds	20190926
WO-2021061898-A1	Antiviral pyrazolopyridinone compounds	20190926

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Related Functional Groups

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[42729-26-0]
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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

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.01432991
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.01432991
Rotatable Bond Count:	3
Topological Polar Surface Area:	68.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5