Structure & Deep Data of 1-Anthroyl cyanide (C16H9NO)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1-Anthroyl cyanide molecule contains a total of 29 bond(s). There are 20 non-H bond(s), 18 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 triple bond(s), 16 aromatic bond(s), 3 six-membered ring(s), 2 ten-membered ring(s), 1 ketone(s) (aromatic), and 1 nitrile(s) (aliphatic). Images of the chemical structure of 1-Anthroyl cyanide are given below:

The 2D chemical structure image of 1-Anthroyl cyanide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-Anthroyl 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 1-Anthroyl 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 1-Anthroyl cyanide. Download structure data file (SDF/MOL) file of this compound.

---

Search Another Chemical Structure

Enter another compound to search for chemical structure:

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying 1-Anthroyl cyanide Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 1-Anthroyl cyanide

  The SMILES string of 1-Anthroyl cyanide is O=C(C#N)c2cccc3cc1ccccc1cc23, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1-Anthroyl cyanide.

• Structure Data File (SDF/MOL File) of 1-Anthroyl cyanide

  The structure data file (SDF/MOL File) of 1-Anthroyl cyanide is available for download in the SDF page of 1-Anthroyl cyanide, which provides the information about the atoms, bonds, connectivity and coordinates of 1-Anthroyl cyanide. The 1-Anthroyl cyanide structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 1-Anthroyl cyanide

  The molecular formula of 1-Anthroyl cyanide is available in chemical formula page of 1-Anthroyl cyanide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 1-Anthroyl cyanide

  The molecular weight of 1-Anthroyl cyanide is available in molecular weight page of 1-Anthroyl 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 1-Anthroyl cyanide

  The 1-Anthroyl 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 1-Anthroyl cyanide including the various registry numbers, if available:

  • 1-Anthroyl cyanide

---

1-Anthroyl cyanide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-Anthroyl cyanide?
C16H9NO
How many atoms and what are the elements included the 1-Anthroyl cyanide molecule?
27 atom(s) - 9 Hydrogen atom(s), 16 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 1-Anthroyl cyanide structure?
29 bond(s) - 20 non-H bond(s), 18 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 triple bond(s), 16 aromatic bond(s), 3 six-membered ring(s), 2 ten-membered ring(s), 1 ketone(s) (aromatic), and 1 nitrile(s) (aliphatic)
What’s the 1-Anthroyl cyanide’s molecular weight?
231.24876 g/mol
What’s the SMILES code of 1-Anthroyl cyanide?
O=C(C#N)c2cccc3cc1ccccc1cc23
What’s the InChI string of 1-Anthroyl cyanide?
InChI=1S/C16H9NO/c17-10-16(18)14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H
What’s the InChIKey code of 1-Anthroyl cyanide?
UQJCYUIDHXVQDZ-UHFFFAOYSA-N

1181 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).