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Structure & Deep Data of Phosphoric acid (H3O4P)

Identification of Phosphoric acid Chemical Compound

2D chemical structure image of Phosphoric acid
Chemical Formula H3O4P
Molecular Weight 97.99518 g/mol
IUPAC Name phosphoric acid
SMILES String OP(O)(O)=O
InChI InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
InChIKey NBIIXXVUZAFLBC-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Phosphoric acid molecule contains a total of 7 bond(s). There are 4 non-H bond(s), 1 multiple bond(s), 1 double bond(s), 3 hydroxyl group(s), and 1 phosphate(s)/thiophosphate(s). Images of the chemical structure of Phosphoric acid are given below:

2D chemical structure image of Phosphoric acid
2-dimensional (2D) chemical structure image of Phosphoric acid
3D chemical structure image of Phosphoric acid
3-dimensional (3D) chemical structure image of Phosphoric acid

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


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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of Phosphoric acid is provided here.

The Phosphoric acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Phosphoric acid molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Phosphoric acid can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


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Additional Information for Identifying Phosphoric acid Molecule

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

    The SMILES string of Phosphoric acid is OP(O)(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 Phosphoric acid.

  • Structure Data File (SDF/MOL File) of Phosphoric acid

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

  • Chemical formula of Phosphoric acid

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

  • Molecular weight of Phosphoric acid

    The molecular weight of Phosphoric acid is available in molecular weight page of Phosphoric acid, 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 Phosphoric acid

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

    • Phosphoric acid solution, NMR reference standard, 85% in D2O (99.9 atom % D), NMR tube size 5 mm x 8 in. , WGS-5BL Coaxial NMR tube
    • Phosphoric acid, puriss., meets analytical specification of Ph. Eur., BP, NF, FCC, 85.0-88.0%
    • Phosphoric acid, puriss. p.a., ACS reagent, packed in coated, shock- and leak-protected glass bottle, >=85% (T)
    • Phosphoric acid solution, NMR reference standard, 85% in D2O (99.9 atom % D), NMR tube size 5 mm x 8 in.
    • Phosphoric acid solution, NMR reference standard, 85% in D2O (99.9 atom % D), NMR tube size 4.2 mm x 8 in. , WGS-5BL Coaxial NMR tube
    • Phosphoric acid solution, NMR reference standard, 85% in D2O (99.9 atom % D), NMR tube size 3 mm x 8 in.
    • Phosphate atomic spectroscopy standard concentrate 10.00 g PO43-, 10.00 g/L, for 1 l standard solution, analytical standard
    • Phosphate atomic spectroscopy standard concentrate 1.00 g PO43-, 1.00 g/L, for 1L standard solution, analytical standard
    • 959699-83-3
    • 28602-75-7
    • 178560-73-1
    • 1196963-54-8
    • 1053657-23-0
    • 1021417-41-3
    • Phosphoric acid, semiconductor grade PURANAL(TM) (Honeywell 17861), >=85%
    • Phosphoric acid, semiconductor grade MOS PURANAL(TM) (Honeywell 17938), >=85%
    • Phosphoric acid, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=85%
    • Phosphoric acid, semiconductor grade VLSI PURANAL(TM) (Honeywell 17644)
    • Phosphoric acid, >=85 wt. % in H2O, >=99.999% trace metals basis
    • Phosphoric acid, United States Pharmacopeia (USP) Reference Standard
    • Phosphoric acid, BioReagent, suitable for insect cell culture, 85%
    • Phosphoric acid, 85 wt. % in H2O, 99.99% trace metals basis
    • Phosphoric acid, puriss. p.a., crystallized, >=99.0% (T)
    • Phosphoric acid, crystalline, >=99.999% trace metals basis
    • 730A9101-D5DE-4668-97CA-7B6178B84417
    • Phosphoric acid, p.a., ACS reagent, reag. ISO, 85%
    • Phosphoric acid solution, 85 wt. % in H2O, FCC, FG
    • Phosphoric acid solution, 85 wt. % in water 500ml
    • J-523994
    • ORTHOPHOSPHORIC ACID 85% AQUEOUS SOLUTION
    • Phosphoric acid, JIS special grade, >=85.0%
    • Orthophosphoric acid, 85% w/w aqueous solution
    • D05467
    • Phosphoric acid, SAJ first grade, >=85.0%
    • P1745
    • Sodium pyrophosphate decahydrate BioChemica
    • orthophosphoric acid H3O4P, hydroxyapatite
    • Phosphoric acid, BioUltra, >=85% (T)
    • Phosphoric acid [UN1805] [Corrosive]
    • Isooctanol, reaction products with phosphorus oxide (P2O5) and polyethylene glycol monotridecyl ether
    • E338
    • 9044-08-0
    • 68891-72-5
    • Phosphoric acid [UN1805] [Corrosive]
    • Phosphoric acid, for HPLC, >=85%
    • Phosphoric acid, ACS reagent, 85%
    • ANW-44010
    • Tetrasodium pyrophosphate 10-hydrate
    • Phosphoric acid, puriss., >=99%
    • Phosphoric acid, 85%, ACS grade
    • Phosphoric Acid 85% Reagent ACS
    • Phosphoric Acid (Fragrance Grade)
    • phosphoric acid (ACD/Name 4.0)
    • Phosphoric acid, LR, 88-93%
    • Phosphoric acid, AR, 88-93%
    • Phosphoric acid solution, 1.0 M
    • trihydrogen tetraoxophosphate(3-)
    • Phosphoric acid,standard solution
    • HMDB02142
    • BDBM14671
    • [PO(OH)3]
    • Phosphoric acid, technical grade
    • Phosphoric acid, AR, >=88%
    • D-Mannan, dihydrogen phosphate
    • Phosphoric acid (food grade)
    • PHOSPHORIC ACID- D3
    • PHOSPHORIC ACID, ACS
    • EC 231-633-2
    • Phosphate Ionphosphate Ion
    • PO4-PHS
    • tetra-Sodium pyrophosphate
    • Condensed phosphoric acid
    • Phosphoric acid, 85%
    • ortho- phosphoric acid
    • tetraoxophosphoric acid
    • poly(phosphoric acid)
    • diphosphate tetrasodium
    • ortho phosphoric acid
    • Superphosphoric acid
    • Orthophosphoricacid
    • Polyphosphorc acds
    • OyAxEa
    • Marphos
    • Phospholeum
    • Phosphoric acid, ACS reagent, >=85 wt. % in H2O
    • CAS-7664-38-2
    • Phosphoricum acidum
    • PHOSPHORIC ACID-17O4
    • acide phosphorique (FRENCH)
    • Phosphoric acid solution
    • Phosphoric acid (NF)
    • MFCD00011340
    • E4GA8884NN
    • H3PO4
    • EPA Pesticide Chemical Code 076001
    • trihydroxidooxidophosphorus
    • Phosphoric acid [NF]
    • Phosphoric acid 85%
    • ortho-phosphoric acid
    • FEMA No. 2900
    • Polyphosphoric acids
    • Acide phosphorique [French]
    • POLYPHOSPHORIC ACID
    • Phosphorsaeureloesungen [German]
    • Phosphoric acid, ortho-
    • Phosphoric acid 75%
    • Caswell No. 662
    • Fosforzuuroplossingen [Dutch]
    • Fosforzuuroplossingen
    • Acido fosforico [Italian]
    • Phosphorsaeureloesungen
    • Acido fosforico
    • White phosphoric acid
    • o-Phosphoric acid
    • Acide phosphorique
    • Wc-reiniger
    • Evits
    • Acidum phosphoricum
    • Phosphorsaeure
    • Sonac
    • 7664-38-2
    • ORTHOPHOSPHORIC ACID

Phosphoric acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Phosphoric acid?
H3O4P
How many atoms and what are the elements included the Phosphoric acid molecule?
8 atom(s) - 3 Hydrogen atom(s), 4 Oxygen atom(s), and 1 Phosphorous atom(s)
How many chemical bonds and what kind of bonds are included the Phosphoric acid structure?
7 bond(s) - 4 non-H bond(s), 1 multiple bond(s), 1 double bond(s), 3 hydroxyl group(s), and 1 phosphate(s)/thiophosphate(s)
What’s the Phosphoric acid’s molecular weight?
97.99518 g/mol
What’s the SMILES code of Phosphoric acid?
OP(O)(O)=O
What’s the InChI string of Phosphoric acid?
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
What’s the InChIKey code of Phosphoric acid?
NBIIXXVUZAFLBC-UHFFFAOYSA-N

10066 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).

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