Structure & Deep Data of Tetrahydrofurfuryl salicylate (C12H14O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Tetrahydrofurfuryl salicylate molecule contains a total of 31 bond(s). There are 17 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 ester(s) (aromatic), 1 aromatic hydroxyl(s), 1 ether(s) (aliphatic), and 1 Oxolane(s). Images of the chemical structure of Tetrahydrofurfuryl salicylate are given below:

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

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Additional Information for Identifying Tetrahydrofurfuryl salicylate Molecule

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

  The SMILES string of Tetrahydrofurfuryl salicylate is Oc1ccccc1C(=O)OCC2CCCO2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Tetrahydrofurfuryl salicylate.

• Structure Data File (SDF/MOL File) of Tetrahydrofurfuryl salicylate

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

• Chemical formula of Tetrahydrofurfuryl salicylate

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

• Molecular weight of Tetrahydrofurfuryl salicylate

  The molecular weight of Tetrahydrofurfuryl salicylate is available in molecular weight page of Tetrahydrofurfuryl salicylate, 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 Tetrahydrofurfuryl salicylate

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

  • Benzoic acid,2-hydroxy-, (tetrahydro-2-furanyl)methyl ester
  • I14-11023
  • Salicylic acid [(tetrahydrofuran)-2-yl]methyl ester
  • C-52875
  • (Tetrahydrofuran-2-yl)methyl 2-hydroxybenzoate
  • tetrahydrofuran-2-ylmethyl 2-hydroxybenzoate
  • Tetrahydro-2-furanylmethyl salicylate
  • AR-1L6428
  • Tetrahydrofurfurylsalicylate
  • Thurfyl salicylate

  • tetrahydrofuran-2-ylmethyl salicylate
  • 2217-35-8
  • Tetrahydrofurfuryl salicylate

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Tetrahydrofurfuryl salicylate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Tetrahydrofurfuryl salicylate?
C12H14O4
How many atoms and what are the elements included the Tetrahydrofurfuryl salicylate molecule?
30 atom(s) - 14 Hydrogen atom(s), 12 Carbon atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Tetrahydrofurfuryl salicylate structure?
31 bond(s) - 17 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 ester(s) (aromatic), 1 aromatic hydroxyl(s), 1 ether(s) (aliphatic), and 1 Oxolane(s)
What’s the Tetrahydrofurfuryl salicylate’s molecular weight?
222.23716 g/mol
What’s the SMILES code of Tetrahydrofurfuryl salicylate?
Oc1ccccc1C(=O)OCC2CCCO2
What’s the InChI string of Tetrahydrofurfuryl salicylate?
InChI=1S/C12H14O4/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-2,5-6,9,13H,3-4,7-8H2
What’s the InChIKey code of Tetrahydrofurfuryl salicylate?
VNDLMXQTZJPTOR-UHFFFAOYSA-N

27 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).