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Molecular structures are graphs with chemical constraints such as valences, bond multiplicity and fragments. These generators are the core of CASE systems. In a generator, the molecular formula is the basic input. If fragments are obtained from the experimental data, they can also be used as inputs to accelerate structure generation.
Skeletal structural formula of Vitamin B 12.Many organic molecules are too complicated to be specified by a molecular formula.. The structural formula of a chemical compound is a graphic representation of the molecular structure (determined by structural chemistry methods), showing how the atoms are possibly arranged in the real three-dimensional space.
A chemical formula is a way of presenting information about the chemical proportions of atoms that constitute a particular chemical compound or molecule, using chemical element symbols, numbers, and sometimes also other symbols, such as parentheses, dashes, brackets, commas and plus (+) and minus (−) signs.
A compound's empirical formula is a very simple type of chemical formula. [27] It is the simplest integer ratio of the chemical elements that constitute it. [28] For example, water is always composed of a 2:1 ratio of hydrogen to oxygen atoms, and ethanol (ethyl alcohol) is always composed of carbon, hydrogen, and oxygen in a 2:6:1 ratio.
The mole is widely used in chemistry as a convenient way to express amounts of reactants and amounts of products of chemical reactions. For example, the chemical equation 2 H 2 + O 2 → 2 H 2 O can be interpreted to mean that for each 2 mol molecular hydrogen (H 2) and 1 mol molecular oxygen (O 2) that react, 2 mol of water (H 2 O) form.
In chemistry, the Fischer projection, devised by Emil Fischer in 1891, is a two-dimensional representation of a three-dimensional organic molecule by projection. Fischer projections were originally proposed for the depiction of carbohydrates and used by chemists, particularly in organic chemistry and biochemistry. The use of Fischer projections ...
A molecular formula enumerates the number of atoms to reflect those in the molecule, so that the molecular formula for glucose is C 6 H 12 O 6 rather than the glucose empirical formula, which is CH 2 O. Except for the very simple substances, molecular chemical formulas generally lack needed structural information, and might even be ambiguous in ...
In chemistry, a formula unit is the smallest unit of a non-molecular substance, such as an ionic compound, covalent network solid, or metal. [1] [2] It can also refer to the chemical formula for that unit. Those structures do not consist of discrete molecules, and so for them, the term formula unit is used.