Sodium 1-propanesulfonate monohydrate - CAS 304672-01-3

Catalog:	BB020605
Product Name:	Sodium 1-propanesulfonate monohydrate
CAS:	304672-01-3
Synonyms:	sodium;propane-1-sulfonate;hydrate

Technical Data

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Computed Properties

IUPAC Name:	sodium;propane-1-sulfonate;hydrate
Description:	Sodium 1-propanesulfonate monohydrate (CAS# 304672-01-3) is a useful research chemical compound.
Molecular Weight:	164.16
Molecular Formula:	C3H9NaO4S
Canonical SMILES:	CCCS(=O)(=O)[O-].O.[Na+]
InChI:	InChI=1S/C3H8O3S.Na.H2O/c1-2-3-7(4,5)6;;/h2-3H2,1H3,(H,4,5,6);;1H2/q;+1;/p-1
InChI Key:	QBQVXXQXZXDEHE-UHFFFAOYSA-M
Melting Point:	250 °C (dec.)(lit.)
Purity:	> 98 %
Appearance:	White powder, fibrous powder or flakes
MDL:	MFCD00167033
LogP:	1.02240

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Related Functional Groups

Sulfur Compounds

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[85-47-2]
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[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

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Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.01192422
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.01192422
Rotatable Bond Count:	2
Topological Polar Surface Area:	66.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0