Structure & Deep Data of Ethyl orotate (C7H8N2O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Ethyl orotate molecule contains a total of 21 bond(s). There are 13 non-H bond(s), 4 multiple bond(s), 3 rotatable bond(s), 4 double bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 1 urea (-thio) derivative(s), and 1 imide(s) (-thio). Images of the chemical structure of Ethyl orotate are given below:

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

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Additional Information for Identifying Ethyl orotate Molecule

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

  The SMILES string of Ethyl orotate is CCOC(=O)c1cc(=O)[nH]c(=O)[nH]1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Ethyl orotate.

• Structure Data File (SDF/MOL File) of Ethyl orotate

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

• Chemical formula of Ethyl orotate

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

• Molecular weight of Ethyl orotate

  The molecular weight of Ethyl orotate is available in molecular weight page of Ethyl orotate, 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 Ethyl orotate

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

  • 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid ethyl ester
  • ETHYL 2,6-DIOXO-1,3-DIHYDROPYRIMIDINE-4-CARBOXYLATE
  • Ethyl 2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate #
  • ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
  • X0154
  • 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, ethyl ester
  • ANW-65881
  • Orotic acid ethyl ester [MI]
  • Orotic acid, ethyl ester
  • Orotic acid ethyl ester

  • Ethyl 2,6-dihydroxypyrimidine-4-carboxylate
  • Ethyl orotate
  • 1747-53-1
  • 5IE748TQOR

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Ethyl orotate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Ethyl orotate?
C7H8N2O4
How many atoms and what are the elements included the Ethyl orotate molecule?
21 atom(s) - 8 Hydrogen atom(s), 7 Carbon atom(s), 2 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Ethyl orotate structure?
21 bond(s) - 13 non-H bond(s), 4 multiple bond(s), 3 rotatable bond(s), 4 double bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 1 urea (-thio) derivative(s), and 1 imide(s) (-thio)
What’s the Ethyl orotate’s molecular weight?
184.14942 g/mol
What’s the SMILES code of Ethyl orotate?
CCOC(=O)c1cc(=O)[nH]c(=O)[nH]1
What’s the InChI string of Ethyl orotate?
InChI=1S/C7H8N2O4/c1-2-13-6(11)4-3-5(10)9-7(12)8-4/h3H,2H2,1H3,(H2,8,9,10,12)
What’s the InChIKey code of Ethyl orotate?
OQIITSDYUWKGGR-UHFFFAOYSA-N

39 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).