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Ethanesulfonic acid sodium salt monohydrate

Ethanesulfonic acid sodium salt monohydrate - CAS 308103-56-2

Catalog:	BB020734
Product Name:	Ethanesulfonic acid sodium salt monohydrate
CAS:	308103-56-2
Synonyms:	sodium;ethanesulfonate;hydrate

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Computed Properties

IUPAC Name:	sodium;ethanesulfonate;hydrate
Description:	Ethanesulfonic acid sodium salt monohydrate (CAS# 308103-56-2 ) is a useful research chemical.
Molecular Weight:	150.13
Molecular Formula:	C2H7NaO4S
Canonical SMILES:	CCS(=O)(=O)[O-].O.[Na+]
InChI:	InChI=1S/C2H6O3S.Na.H2O/c1-2-6(3,4)5;;/h2H2,1H3,(H,3,4,5);;1H2/q;+1;/p-1
InChI Key:	ZWDIDBOOWLDXON-UHFFFAOYSA-M
Melting Point:	248-256 °C(lit.)
Purity:	95 %
Appearance:	White crystalline
MDL:	MFCD00150938
LogP:	0.56800

Publication Number	Title	Priority Date
CN-113030484-A	Procalcitonin sensitization latex, kit, preparation method and application	20210310
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WO-2020219395-A1	Process for preparing granulocyte-colony stimulating factor	20190424
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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:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.99627416
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	149.99627416
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0