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CID 163623346

PubChem CID
163623346
Structure
CID 163623346_small.png
Molecular Formula
Status
Non-live
Molecular Weight
186.18 g/mol
Dates
  • Create:
    2022-07-06

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 163623346.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;sodium;2-hydroxypropanoic acid;dihydroxide

2.1.2 InChI

InChI=1S/C3H6O3.K.Na.2H2O/c1-2(4)3(5)6;;;;/h2,4H,1H3,(H,5,6);;;2*1H2/q;2*+1;;/p-2

2.1.3 InChIKey

HQAODRQWFLQEER-UHFFFAOYSA-L

2.1.4 SMILES

CC(C(=O)O)O.[OH-].[OH-].[Na+].[K+]

2.2 Molecular Formula

C3H8KNaO5

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
186.18 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
185.99064912 g/mol
Property Name
Monoisotopic Mass
Property Value
185.99064912 g/mol
Property Name
Topological Polar Surface Area
Property Value
59.5 A^2
Property Name
Heavy Atom Count
Property Value
10
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
59.1
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
5
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS