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CID 13510

PubChem CID
13510
Structure
CID 13510_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
65.007 g/mol
Dates
  • Create:
    2005-07-19

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 13510.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;cyanate

2.1.2 InChI

InChI=1S/CHNO.Na/c2-1-3;/h3H;/q;+1/p-1

2.1.3 InChIKey

ZVCDLGYNFYZZOK-UHFFFAOYSA-M

2.1.4 SMILES

C(#N)[O-].[Na+]

2.2 Molecular Formula

CNNaO

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
65.007 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
64.98775791 g/mol
Property Name
Monoisotopic Mass
Property Value
64.98775791 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.9 A^2
Property Name
Heavy Atom Count
Property Value
4
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
31.3
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