Sodium 3-Methoxy-3-oxopropane-1-sulfinate - CAS 90030-48-1

Catalog:	BB039741
Product Name:	Sodium 3-Methoxy-3-oxopropane-1-sulfinate
CAS:	90030-48-1
Synonyms:	sodium;3-methoxy-3-oxo-1-propanesulfinate; sodium;3-methoxy-3-oxopropane-1-sulfinate

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Computed Properties

IUPAC Name:	sodium;3-methoxy-3-oxopropane-1-sulfinate
Description:	Sodium 3-Methoxy-3-oxopropane-1-sulfinate (CAS# 90030-48-1) is a useful research chemical.
Molecular Weight:	174.15
Molecular Formula:	C4H7O4SNa
Canonical SMILES:	COC(=O)CCS(=O)[O-].[Na+]
InChI:	InChI=1S/C4H8O4S.Na/c1-8-4(5)2-3-9(6)7;/h2-3H2,1H3,(H,6,7);/q;+1/p-1
InChI Key:	YICFALDKKMHFLT-UHFFFAOYSA-M
Boiling Point:	334 ℃ at 760 mmHg
Appearance:	White to off-white powder or crystals or chunks
MDL:	MFCD07776796
LogP:	0.29430

Publication Number	Title	Priority Date
WO-2021099838-A1	Adenosine receptor antagonist compounds	20191119
KR-20210043801-A	Synthesis of Sulfones and Sulfonyl Derivatives using Sodium (tert-butyldimethylsilyl)oxymethanesulfinate	20191011
WO-2020261114-A1	2,3-dihydroquinazolin compounds as nav1.8 inhibitors	20190627
WO-2020249652-A1	Pyridyl or pyrimidyl mtor kinase inhibitors	20190613
WO-2020033382-A1	Compounds useful in modulating the farnesoid x receptor and methods of making and using the same	20180808

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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:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.99627416
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	173.99627416
Rotatable Bond Count:	4
Topological Polar Surface Area:	85.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0