SDF/Mol File of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate (C9H14O3)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate Molecule

• Chemical structure of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate is available in chemical structure page of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate

  The molecular weight of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate is available in molecular weight page of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate, 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 [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate

  The chemical formula of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate is given in chemical formula page of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate, 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 [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate is:

  InChI=1S/C9H14O3/c1-6(11)12-5-8-7(4-10)9(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8-/m1/s1

  It can provide a standard way to encode the molecular information of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate 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 [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate is:

  InChIKey=YFGZSIPIUAXSOX-HTQZYQBOSA-N

  The InChIKey may allow easier web searches for [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate, but it needs to be linked to the full InChI to get back to the original structure of the [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate

  The [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate including the registry numbers are listed below, if available:

  
  
  None available.

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[(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate Identification Summary Frequently Asked Questions (FAQs)

What’s the [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate formula?
C9H14O3
How many atoms and what elements are included in the [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate molecule?
26 atom(s) - 14 Hydrogen atom(s), 9 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate structure?
26 bond(s) - 12 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 1 three-membered ring(s), 1 ester(s) (aliphatic), and 1 aldehyde(s) (aliphatic)
What’s the [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate’s molar mass?
170.20566 g/mol
What’s the SMILES structure of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate?
CC(=O)OCC1C(C=O)C1(C)C
What’s the InChI code of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate?
InChI=1S/C9H14O3/c1-6(11)12-5-8-7(4-10)9(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8-/m1/s1
What’s the InChIKey format of [(1R,3R)-3-formyl-2,2-dimethylcyclopropyl]methyl acetate?
YFGZSIPIUAXSOX-HTQZYQBOSA-N

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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).