It may allow easier web searches for METHYL ACETATE. The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of METHYL ACETATE is: It can provide a way to encode the molecular information of METHYL ACETATE to facilitate the search for the compound information in databases and on the web. The full standard InChI of METHYL ACETATE is given below: In addition to the molecular weight information, the structural information of METHYL ACETATE in a textual expression is available via InChi. InChI (IUPAC International Chemical Identifier) information of METHYL ACETATE.The molecular formula of METHYL ACETATE is given in chemical formula page of METHYL ACETATE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element. The molecular structure image of METHYL ACETATE is available in chemical structure page of METHYL ACETATE, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in METHYL ACETATE and the chemical bonds that hold the atoms together. The METHYL ACETATE structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis. The structure data file (SDF/MOL File) of METHYL ACETATE is available for download in the SDF page of METHYL ACETATE, which provides the information on atoms, bonds, connectivity and coordinates of METHYL ACETATE. Structure Data File (SDF/MOL File) of METHYL ACETATE.Activity Score for Nuclear Receptor LigandsĪdditional Information for Identifying METHYL ACETATE Molecule.Activity Score for Ion Channel Modulators.Moriguchi Octanol-Water Partition Coefficient (logP).Ghose-Crippen Octanol-Water Partition Coefficient (logP).LogP (Octanol-Water Partition Coefficient).Heat of Vaporization at Normal Boiling Point.Upper Flammability Limit Volume Percent.Lower Flammability Limit Volume Percent.Standard State Gibbs Energy of Formation.The atomic mass takes into account the isotopic distribution of the element in a given sample.įor physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics: Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol. The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. The molecular weight of METHYL ACETATE is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be: The METHYL ACETATE molecule consists of 6 Hydrogen atom(s), 3 Carbon atom(s) and 2 Oxygen atom(s) - a total of 11 atom(s).
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