Home Carboxys Pentaric acid, 3-C-carboxy-2-deoxy-, tripotassium salt (9CI)

Pentaric acid, 3-C-carboxy-2-deoxy-, tripotassium salt (9CI)

CAS No.:
232281-44-6
Catalog Number:
AG002ML5
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG002ML5
Chemical Name:
Pentaric acid, 3-C-carboxy-2-deoxy-, tripotassium salt (9CI)
CAS Number:
232281-44-6
MDL Number:
MFCD03840759
IUPAC Name:
dipotassium;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioate
InChI:
InChI=1S/C6H8O8.2K/c7-3(8)1-6(12,5(10)11)2-4(9)14-13;;/h12-13H,1-2H2,(H,7,8)(H,10,11);;/q;2*+1/p-2
InChI Key:
DBODYJNKCUPHHN-UHFFFAOYSA-L
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.934g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.303g/mol
Monoisotopic Mass:
283.934g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties