Sodium hydrogencitrate sesquihydrate - CAS 6132-05-4
Catalog: |
BB031055 |
Product Name: |
Sodium hydrogencitrate sesquihydrate |
CAS: |
6132-05-4 |
Synonyms: |
disodium;2-(carboxymethyl)-2-hydroxybutanedioate;hydrate |
IUPAC Name: | disodium;2-(carboxymethyl)-2-hydroxybutanedioate;hydrate |
Description: | Sodium hydrogencitrate sesquihydrate (CAS# 6132-05-4) is a useful reactant in organic synthesis. |
Molecular Weight: | 263.11 |
Molecular Formula: | C6H8Na2O8 |
Canonical SMILES: | C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.O.[Na+].[Na+] |
InChI: | InChI=1S/C6H8O7.2Na.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;1H2/q;2*+1;/p-2 |
InChI Key: | XNZQCYSOYHAYII-UHFFFAOYSA-L |
Solubility: | Soluble in water |
Appearance: | White powder or crystals |
LogP: | -3.98220 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 4 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.00145577 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.00145577 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 139 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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