Structure & Deep Data of Benzyl dihydrogen phosphate (C7H9O4P)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The benzyl dihydrogen phosphate molecule contains a total of 21 bond(s). There are 12 non-H bond(s), 7 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 hydroxyl group(s), and 1 phosphate(s)/thiophosphate(s). Images of the chemical structure of benzyl dihydrogen phosphate are given below:

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

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Additional Information for Identifying Benzyl dihydrogen phosphate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of benzyl dihydrogen phosphate

  The SMILES string of benzyl dihydrogen phosphate is OP(O)(=O)OCc1ccccc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the benzyl dihydrogen phosphate.

• Structure Data File (SDF/MOL File) of benzyl dihydrogen phosphate

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

• Chemical formula of benzyl dihydrogen phosphate

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

• Molecular weight of benzyl dihydrogen phosphate

  The molecular weight of benzyl dihydrogen phosphate is available in molecular weight page of benzyl dihydrogen phosphate, 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 benzyl dihydrogen phosphate

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

  • Phosphoric acid, mono(phenylmethyl) ester
  • 1623-07-0
  • benzyl dihydrogen phosphate
  • Phosphoric acid benzyl ester

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Benzyl dihydrogen phosphate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of benzyl dihydrogen phosphate?
C7H9O4P
How many atoms and what are the elements included the benzyl dihydrogen phosphate molecule?
21 atom(s) - 9 Hydrogen atom(s), 7 Carbon atom(s), 4 Oxygen atom(s), and 1 Phosphorous atom(s)
How many chemical bonds and what kind of bonds are included the benzyl dihydrogen phosphate structure?
21 bond(s) - 12 non-H bond(s), 7 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 2 hydroxyl group(s), and 1 phosphate(s)/thiophosphate(s)
What’s the benzyl dihydrogen phosphate’s molecular weight?
188.117722 g/mol
What’s the SMILES code of benzyl dihydrogen phosphate?
OP(O)(=O)OCc1ccccc1
What’s the InChI string of benzyl dihydrogen phosphate?
InChI=1S/C7H9O4P/c8-12(9,10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
What’s the InChIKey code of benzyl dihydrogen phosphate?
YTFJQDNGSQJFNA-UHFFFAOYSA-N

17 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).