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Formula of Oxygen (O2)

Identification of Oxygen Chemical Compound

2D chemical structure image of Oxygen
Chemical Formula O2
Molecular Weight 31.9988 g/mol
IUPAC Name oxygen
SMILES String O=O
InChI InChI=1S/O2/c1-2
InChIKey MYMOFIZGZYHOMD-UHFFFAOYSA-N

Chemical Formula Description

The Oxygen molecule contains a total of 2 atom(s). There are 2 Oxygen atom(s). A chemical formula of Oxygen can therefore be written as:

O2

The chemical formula of Oxygen shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

3D chemical structure image of Oxygen
Ball-and-stick model of Oxygen

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  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying Oxygen Molecule

  • Structure Data File (SDF/MOL File) of Oxygen

    The structure data file (SDF/MOL File) of Oxygen is available for download in the SDF page of Oxygen providing the information about the atoms, bonds, connectivity and coordinates of Oxygen, which is not completely available in the chemical formula representation. The Oxygen structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of Oxygen

    The chemical structure image of Oxygen is available in chemical structure page of Oxygen, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Oxygen and the chemical bonds that hold the atoms together.

  • Molecular weight of Oxygen

    The molecular weight of Oxygen is available in molecular weight page of Oxygen, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Oxygen.


  • InChI (IUPAC International Chemical Identifier) information of Oxygen

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Oxygen is:

    InChI=1S/O2/c1-2

    It can provide a standard way to encode the molecular information of Oxygen 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 Oxygen is:

    InChIKey=MYMOFIZGZYHOMD-UHFFFAOYSA-N

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

  • Other names (synonyms) or registry numbers of Oxygen

    The Oxygen compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Oxygen including the registry numbers is given below, if available:

    • 80937-33-3
    • 80217-98-7
    • 14797-70-7
    • 1338-93-8
    • Oxygen, refrigerated liquid (cryogenic liquid) [UN1073] [Nonflammable gas]
    • AQUANAL(TM)-plus oxygen (O2) 1-12 mg/L, test set with color comparator
    • AQUANAL(TM)-plus oxygen (O2) 1-12 mg/L, refill pack for 37428
    • Oxygen 4c21e554-d402-480d-896d-8185c05c7863
    • (O2)(2.)
    • (O2)(..)
    • Oxygen, compressed [UN1072] [Nonflammable gas]
    • AQUANAL™-plus oxygen (O2) 1-12 mg/L
    • Oxygen, refrigerated liquid (cryogenic liquid)
    • O2(2.)
    • D00003
    • E-948
    • E 948
    • (1)O2
    • Oxygen, Messer(R) CANGas, 99.999%
    • UN 1073
    • UN 1072
    • S88TT14065
    • Southern Medical Oxygen, Compressed
    • Compressed gas, oxidizing, n.o.s.
    • Oxygen (family 1st Medical)
    • Compressed Gas Oxidizing,N.O.S.
    • HMDB01377
    • Emergency Oxygen Supply 99.5%
    • Oxygen, >=99.998%
    • Oxygen 64889-0001
    • Oxygen Helium Mixture 30/70
    • Oxygen Helium Mixture 20/80
    • [OO]
    • Oxygen USP - Gas 100%
    • Oxygen, Compressed U.S.P.
    • Oxygen, >=99.6%
    • Oxygen, Refrigerated Liquid
    • Oxygen Compressed U.S.P.
    • Air Compressed Medical Air
    • Oxygen Refrigerated Liquid
    • Oxygen-refrigerated Liquid
    • dioxygen(2.) (triplet)
    • Oxygen 99.95%
    • Oxygen (JP17/USP)
    • Oxygen 99.0%
    • Oxygen (93%)
    • oxygen O2, orthorhombic
    • Oxygen (8CI,9CI)
    • Oxyfit Gas 99.5%
    • Medical Oxygen 100%
    • triplet molecular oxygen
    • singlet molecular oxygen
    • Oxygen-nitrogen Mixture
    • Oxygen 100%
    • Oxygen USP 99%
    • Oxygen 99% USP
    • Madacylinder 99.5%
    • Oxygen 99%
    • Ez-OX
    • Oxygen U.S.P.
    • Oxygen Compressed Gas
    • Oxygen-helium Mixture
    • Oxygen Gas 99%
    • Oxygene - Gas Inh
    • Oxygen, Refrigerated
    • Oxygen (compressed)
    • Prairie Oxygen USP
    • Ez-OX Plus
    • Compressed Oxidizing
    • Oxygen, USP
    • Oxygen USP
    • Oxygen Compressed
    • Tri-med Medical
    • Medical Air
    • Air, compressed
    • triplet dioxygen
    • singlet dioxygen
    • Medical Oxygen
    • Air Compressed
    • Peroxy radical
    • oxygen monoxide
    • Disauerstoff
    • dioxygene
    • dioxidanediyl
    • Oxygen, refrigerated liquid (cryogenic liquid) [UN1073] [Nonflammable gas]
    • Compressed oxygen
    • Dioxygenyl ion
    • OXY
    • Oxygen, compressed [UN1072] [Nonflammable gas]
    • E948
    • O2
    • Oxygen, compressed
    • Oxigeno [Spanish]
    • Oxygene [French]
    • Oxygen-16
    • oxygene
    • Oxygenium medicinale
    • Oxygen, liquified
    • Oxygen (liquid)
    • Sauerstoff
    • Oxygenium
    • Hyperoxia
    • 7782-44-7
    • Pure oxygen
    • Dioxygen
    • Molecular oxygen
    • oxygen molecule
    • Liquid oxygen

Oxygen Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Oxygen?
O2
How many atoms and what are they in the Oxygen structure?
2 atom(s) - 2 Oxygen atom(s)
How many chemical bonds and what are they in the Oxygen structure?
1 bond(s) - 1 non-H bond(s), 1 multiple bond(s), and 1 double bond(s)
What’s the molecular weight of Oxygen?
31.9988 g/mol
What’s the SMILES string of Oxygen?
O=O
What’s the InChI of Oxygen?
InChI=1S/O2/c1-2
What’s the InChIKey of Oxygen?
MYMOFIZGZYHOMD-UHFFFAOYSA-N

4994 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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