SDF/Mol File of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide (C8H9NO)

Structure Data File (SDF/MOL File) Description

---

chemical table area

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide Molecule

• Chemical structure of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide is available in chemical structure page of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide

  The molecular weight of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide is available in molecular weight page of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide

  The chemical formula of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide is given in chemical formula page of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide is:

  InChI=1S/C8H9NO/c1-9(10)8-6-4-2-3-5-7-8/h2-7H,1H3

  It can provide a standard way to encode the molecular information of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide 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 Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide is:

  InChIKey=CXRMQJPLOWKRJD-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide, but it needs to be linked to the full InChI to get back to the original structure of the Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide

  The Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide including the registry numbers are listed below, if available:

  • Methanaminium,N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxy-hydroxide,inner salt
  • Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxy-hydroxide
  • Methyl(2,4,6-cycloheptatrien-1-ylidene)amine N-oxide
  • N-methylcyclohepta-2,4,6-trien-1-imine oxide
  • Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide

---

Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide Identification Summary Frequently Asked Questions (FAQs)

What’s the Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide formula?
C8H9NO
How many atoms and what elements are included in the Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide molecule?
19 atom(s) - 9 Hydrogen atom(s), 8 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide structure?
19 bond(s) - 10 non-H bond(s), 5 multiple bond(s), 5 double bond(s), and 1 seven-membered ring(s)
What’s the Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide’s molar mass?
135.16316 g/mol
What’s the SMILES structure of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide?
CN(=O)=c1cccccc1
What’s the InChI code of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide?
InChI=1S/C8H9NO/c1-9(10)8-6-4-2-3-5-7-8/h2-7H,1H3
What’s the InChIKey format of Methanaminium, N-2,4,6-cycloheptatrien-1-ylidene-N-hydroxyhydroxide?
CXRMQJPLOWKRJD-UHFFFAOYSA-N

44 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).