SDF/Mol File of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile (C13H11NO)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile Molecule

• Chemical structure of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile is available in chemical structure page of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile

  The molecular weight of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile is available in molecular weight page of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile, 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 (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile

  The chemical formula of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile is given in chemical formula page of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile, 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 (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile is:

  InChI=1S/C13H11NO/c1-15-12-4-2-3-10-11-6-8(13(10)12)5-9(11)7-14/h2-5,8,11H,6H2,1H3/t8-,11-/m1/s1

  It can provide a standard way to encode the molecular information of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile 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 (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile is:

  InChIKey=MOCHAKQBQWCEQE-LDYMZIIASA-N

  The InChIKey may allow easier web searches for (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile, but it needs to be linked to the full InChI to get back to the original structure of the (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile

  The (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile including the registry numbers are listed below, if available:

  
  
  None available.

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(1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile Identification Summary Frequently Asked Questions (FAQs)

What’s the (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile formula?
C13H11NO
How many atoms and what elements are included in the (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile molecule?
26 atom(s) - 11 Hydrogen atom(s), 13 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile structure?
28 bond(s) - 17 non-H bond(s), 8 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 triple bond(s), 6 aromatic bond(s), 2 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), 1 ten-membered ring(s), 1 nitrile(s) (aliphatic), and 1 ether(s) (aromatic)
What’s the (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile’s molar mass?
197.23254 g/mol
What’s the SMILES structure of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile?
COc2cccc3C1CC(C=C1C#N)c23
What’s the InChI code of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile?
InChI=1S/C13H11NO/c1-15-12-4-2-3-10-11-6-8(13(10)12)5-9(11)7-14/h2-5,8,11H,6H2,1H3/t8-,11-/m1/s1
What’s the InChIKey format of (1S,8S)-3-methoxytricyclo[6.2.1.0^{2,7}]undeca-2,4,6,9-tetraene-9-carbonitrile?
MOCHAKQBQWCEQE-LDYMZIIASA-N

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