SDF/Mol File of Homarine (C7H7NO2)

Structure Data File (SDF/MOL File) Description

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chemical table area

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Additional Information for Identifying Homarine Molecule

• Chemical structure of Homarine

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Homarine is available in chemical structure page of Homarine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of Homarine

  The chemical formula of Homarine is given 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.

• InChI (IUPAC International Chemical Identifier) information of Homarine

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of Homarine is:

  InChI=1S/C7H7NO2/c1-8-5-3-2-4-6(8)7(9)10/h2-5H,1H3

  It can provide a standard way to encode the molecular information of Homarine to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Homarine is:

  InChIKey=BRTLKRNVNFIOPJ-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for Homarine, but it needs to be linked to the full InChI to get back to the original structure of the Homarine since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Homarine

  The Homarine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Homarine including the registry numbers are listed below, 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 Homarine formula?
C7H7NO2
How many atoms and what elements are included in 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 in 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 molar mass?
137.13598 g/mol
What’s the SMILES structure of Homarine?
C[n+]1ccccc1C([O-])=O
What’s the InChI code of Homarine?
InChI=1S/C7H7NO2/c1-8-5-3-2-4-6(8)7(9)10/h2-5H,1H3
What’s the InChIKey format of Homarine?
BRTLKRNVNFIOPJ-UHFFFAOYSA-N

235 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).