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CID 20082956

PubChem CID
20082956
Structure
CID 20082956_small.png
Molecular Formula
Status
Non-live
Molecular Weight
186.01 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 20082956.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

oxalate;phosphoric acid

2.1.2 InChI

InChI=1S/C2H2O4.H3O4P/c3-1(4)2(5)6;1-5(2,3)4/h(H,3,4)(H,5,6);(H3,1,2,3,4)/p-2

2.1.3 InChIKey

MRDKYAYDMCRFIT-UHFFFAOYSA-L

2.1.4 SMILES

C(=O)(C(=O)[O-])[O-].OP(=O)(O)O

2.2 Molecular Formula

C2H3O8P-2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
186.01 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
185.95655405 g/mol
Property Name
Monoisotopic Mass
Property Value
185.95655405 g/mol
Property Name
Topological Polar Surface Area
Property Value
158A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
110
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
0
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS