Structure & Deep Data of Furan-2-carbonyl cyanide (C6H3NO2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The furan-2-carbonyl cyanide molecule contains a total of 12 bond(s). There are 9 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 triple bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 ketone(s) (aromatic), 1 nitrile(s) (aliphatic), and 1 Furane(s). Images of the chemical structure of furan-2-carbonyl cyanide are given below:

The 2D chemical structure image of furan-2-carbonyl cyanide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of furan-2-carbonyl cyanide are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of furan-2-carbonyl cyanide is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of furan-2-carbonyl cyanide. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Furan-2-carbonyl cyanide Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of furan-2-carbonyl cyanide

  The SMILES string of furan-2-carbonyl cyanide is O=C(C#N)c1ccco1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the furan-2-carbonyl cyanide.

• Structure Data File (SDF/MOL File) of furan-2-carbonyl cyanide

  The structure data file (SDF/MOL File) of furan-2-carbonyl cyanide is available for download in the SDF page of furan-2-carbonyl cyanide, which provides the information about the atoms, bonds, connectivity and coordinates of furan-2-carbonyl cyanide. The furan-2-carbonyl cyanide structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of furan-2-carbonyl cyanide

  The molecular formula of furan-2-carbonyl cyanide is available in chemical formula page of furan-2-carbonyl cyanide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of furan-2-carbonyl cyanide

  The molecular weight of furan-2-carbonyl cyanide is available in molecular weight page of furan-2-carbonyl cyanide, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of furan-2-carbonyl cyanide

  The furan-2-carbonyl cyanide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of furan-2-carbonyl cyanide including the various registry numbers, if available:

  • AR-1E1838
  • I14-109788
  • MFCD00042670
  • ALPHA-OXO-2-FURANACETONITRILE
  • 9015AB
  • 2-Furanacetonitrile, |A-oxo-
  • 2-Furyl(oxo)acetonitrile #
  • 2-(Cyanocarbonyl)furan
  • 2-furoylcyanide
  • 2-Furanacetonitrile, .alpha.-oxo-

  • .alpha.-Oxo-furan-2-acetonitrile
  • 2-Furanacetonitrile, alpha-oxo-
  • 2-Furanglyoxylonitrile
  • 2-Furoyl cyanide
  • 6047-91-2
  • 2-Furylglyoxylonitrile

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Furan-2-carbonyl cyanide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of furan-2-carbonyl cyanide?
C6H3NO2
How many atoms and what are the elements included the furan-2-carbonyl cyanide molecule?
12 atom(s) - 3 Hydrogen atom(s), 6 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the furan-2-carbonyl cyanide structure?
12 bond(s) - 9 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 triple bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 ketone(s) (aromatic), 1 nitrile(s) (aliphatic), and 1 Furane(s)
What’s the furan-2-carbonyl cyanide’s molecular weight?
121.09352 g/mol
What’s the SMILES code of furan-2-carbonyl cyanide?
O=C(C#N)c1ccco1
What’s the InChI string of furan-2-carbonyl cyanide?
InChI=1S/C6H3NO2/c7-4-5(8)6-2-1-3-9-6/h1-3H
What’s the InChIKey code of furan-2-carbonyl cyanide?
BITJKGFKDMCINV-UHFFFAOYSA-N

1836 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).