The contents of this page can freely be shared if cited as follows: An alternative textual expression including the structural information is InChI. Hexanal is a saturated fatty aldehyde that is hexane in which one of the terminal methyl group has been mono-oxygenated to form the corresponding aldehyde. UnitPot is a noteworthy web-based scientific unit converter that comes with an intuitive user interface. The HEXANAL structure data file can be imported to most of the cheminformatics software for further analysis and visualization. Structure, properties, spectra, suppliers and links for: Hexanal, 66-25-1. Conversion of complicated chemical-related units is no longer sophisticated with the aid of UnitPot. 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. Please hyperlink "Mol-Instincts" to www.molinstincts.com. 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. The list of the other names (synonyms) of HEXANAL including the registry numbers is given below, if available: Visit ChemTopia for further professional chemical information on the basis of a comprehensive intelligence networking platform for experts in the discipline around the globe. The HEXANAL compound may have different names depending on the various different situations of industrial applications. Source: Mol-Instincts Chemical Database, Predicted on Quantum. 1158 The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of HEXANAL is: The InChIKey may allow easier web searches for HEXANAL, but it needs to be linked to the full InChI to get back to the original structure of the HEXANAL since the full standard InChI cannot be reconstructed from the InChIKey. It has a role as a human urinary metabolite. © 2020 ChemEssen, Inc. All rights reserved. There are 12 Hydrogen atom(s), 6 Carbon atom(s) and 1 Oxygen atom(s). 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. The molecular chemical formulas lack structural information. 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. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula. Then, try SnaPeaks – simply upload your MS/MS data and SnaPeaks will provide what’s in your natural products. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde. 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. 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). Need to identify active compounds in your natural products? The HEXANAL molecule contains a total of 19 atom(s). 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 full standard InChI of HEXANAL is: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3. The 2D chemical structure image of HEXANAL is also called skeletal formula, which is the standard notation for organic molecules. It can provide a standard way to encode the molecular information of HEXANAL to facilitate the search for the compound information in databases and on the web. The chemical structure image of HEXANAL is available in chemical structure page of HEXANAL, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of HEXANAL and the chemical bonds that hold the atoms together. The molecular weight of HEXANAL is available in molecular weight page of HEXANAL, 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 HEXANAL.

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