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CID 20096205

PubChem CID
20096205
Structure
CID 20096205_small.png
Molecular Formula
Status
Non-live
Molecular Weight
136.04 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 20096205.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

oxalic acid;nitrite

2.1.2 InChI

InChI=1S/C2H2O4.HNO2/c3-1(4)2(5)6;2-1-3/h(H,3,4)(H,5,6);(H,2,3)/p-1

2.1.3 InChIKey

UEFIGQHPQSVHQI-UHFFFAOYSA-M

2.1.4 SMILES

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

2.2 Molecular Formula

C2H2NO6-

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
136.04 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
135.98821178 g/mol
Property Name
Monoisotopic Mass
Property Value
135.98821178 g/mol
Property Name
Topological Polar Surface Area
Property Value
127A^2
Property Name
Heavy Atom Count
Property Value
9
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
79.1
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
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