Structure & Deep Data of Homarine (C7H7NO2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Homarine molecule contains a total of 17 bond(s). There are 10 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 positively charged N, and 1 Pyridine(s). Images of the chemical structure of Homarine are given below:

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

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Additional Information for Identifying Homarine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Homarine

  The SMILES string of Homarine is C[n+]1ccccc1C([O-])=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Homarine.

• Structure Data File (SDF/MOL File) of Homarine

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

• Chemical formula of Homarine

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

• Molecular weight of Homarine

  The molecular weight of Homarine is available in molecular weight page of Homarine, 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 Homarine

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

  • AR-1K7794
  • 1-Methyl-2-pyridinecarboxylic acid
  • KQ3VHX1490
  • Betaine homarine
  • Picolinic acid N-methylbetaine
  • 2-Pyridinecarboxylic Acid N-Methylbetaine
  • 2-Pyridinecarboxylic Acid Methoinner Salt
  • n-methylpicolinic acid
  • 2-Carboxy-1-methylpyridinium Inner Salt
  • 445-30-7

  • Homarine

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Homarine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Homarine?
C7H7NO2
How many atoms and what are the elements included the Homarine molecule?
17 atom(s) - 7 Hydrogen atom(s), 7 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Homarine structure?
17 bond(s) - 10 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 positively charged N, and 1 Pyridine(s)
What’s the Homarine’s molecular weight?
137.13598 g/mol
What’s the SMILES code of Homarine?
C[n+]1ccccc1C([O-])=O
What’s the InChI string of Homarine?
InChI=1S/C7H7NO2/c1-8-5-3-2-4-6(8)7(9)10/h2-5H,1H3
What’s the InChIKey code of Homarine?
BRTLKRNVNFIOPJ-UHFFFAOYSA-N

833 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).