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3-Hydroxy-1-propanesulfonic acid sodium salt structure

3-Hydroxy-1-propanesulfonic acid sodium salt

 
1. nom et identifiant
1.1 Nom du produit
3-Hydroxy-1-propanesulfonic acid sodium salt
1.2 Synonymes
1-HYDROXYPROPANE-3-SULFONIC ACID SODIUM SALT; 1-Propanesulfonic acid, 3-hydroxy-, sodium salt (1:1); 1-Propanesulfonic acid,3-hydroxy-, sodium salt (1:1); 3-HYDROXY-1-PROPANESULFONIC ACID, SODIUM SALT; 3-hydroxy-1-propanesulfonicacimonosodiumsalt; 3-Hydroxypropane-1-sulfonic acid sodium salt; Hpsna3-HydroxypropanesulfonicAcid,SodiumSalt; Sodium 3-sulfo-1-propanolate;
1.3 CAS No.
3542-44-7
1.4 CID
23687212
1.5 Numéro EINECS
222-584-8
1.6 Formule moléculaire
C3H7NaO4S
1.7 Inchi
InChI=1S/C3H8O4S.Na/c4-2-1-3-8(5,6)7;/h4H,1-3H2,(H,5,6,7);/q;+1/p-1
1.8 InchiKey
CSKVLUWCGPWCQR-UHFFFAOYSA-M
1.9 Canonique SMILES
[Na+].OCCCS([O-])(=O)=O
1.10 Isomérique SMILES
C(CO)CS(=O)(=O)[O-].[Na+]
2. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

3. NMR Spectre
13C NMR : Predict  
1H NMR : Predict  
4. Route synthétique
3542-44-7Total: 3 Route synthétique
 
1120-71-4
1120-71-4 319 Fournisseurs
 
3542-44-7
3542-44-7 14 Fournisseurs
 
1120-71-4
1120-71-4 319 Fournisseurs
 
 
3542-44-7
3542-44-7 14 Fournisseurs
5. Précurseurs et produits
Précurseurs:
Produits:
6. données chimiques calculées
  • Molecular Weight:162.13g/mol
  • Molecular Formula:C3H7NaO4S
  • Compound Is Canonicalized:True
  • XLogP3-AA:161.99627416
  • Monoisotopic Mass:161.99627416
  • Complexity:134
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:85.8
  • Heavy Atom Count::9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint:AAADcYBAOCBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQACAAACACkwAKAAAAAAgIAAAAAAHBAAAAAAAAAAAAAAAAAEAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Toltal 13 Fournisseurs Voir plus
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8. informations réelles sur le produit
 
 
 
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