The formula which only shows the number of carbon and hydrogen atoms present in the molecule without representing the bond present in the molecule is called Condensed structural formula. Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula. Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Structure Data File (SDF/MOL File) of HEXANAL, 19 atom(s) - 12 Hydrogen atom(s), 6 Carbon atom(s) and 1 Oxygen atom(s), 18 bond(s) - 6 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s) and 1 aldehyde(s) (aliphatic). 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. Structure, properties, spectra, suppliers and links for: Hexanal, 66-25-1. It has a role as a human urinary metabolite. 1158 There are 12 Hydrogen atom(s), 6 Carbon atom(s) and 1 Oxygen atom(s). Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. The HEXANAL structure data file can be imported to most of the cheminformatics software for further analysis and visualization. An alternative textual expression including the structural information is InChI. A chemical formula of HEXANAL can therefore be written as: The chemical formula of HEXANAL 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 chemical formula of HEXANAL 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 full standard InChI of HEXANAL is: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3. The HEXANAL compound may have different names depending on the various different situations of industrial applications. Source: Mol-Instincts Chemical Database, Predicted on Quantum. For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics: The structure data file (SDF/MOL File) of HEXANAL is available for download in the SDF page of HEXANAL providing the information about the atoms, bonds, connectivity and coordinates of HEXANAL, which is not completely available in the chemical formula representation.
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