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3-Hydroxy-1-propanesulfonic acid sodium salt
1. Nombres y Identificadores
- 1.1 Nombre del producto
- 3-Hydroxy-1-propanesulfonic acid sodium salt
- 1.2 Sinónimos
- 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 Número EINECS
- 222-584-8
- 1.6 Fórmula molecular
- HO(CH2)3SO3Na
- 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 Canónico SMILES
- [Na+].OCCCS([O-])(=O)=O
- 1.10 Isómero 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 El espectro.
4. Árbol de objetos
3542-44-7Total: 3 Árbol de objetos
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5. Precursores y productos
6. Datos químicos computacionales
- 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==
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Update Time:2024/11/15
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Update Time:2019/04/01
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Update Time:2019/02/26
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Update Time:2019/02/23
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Update Time:2012/11/19
8. información real del producto
1. Nombres y Identificadores
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