SDF/Mol File of (1R,2R)-(+)-1-Phenylpropylene oxide (C9H10O)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (1R,2R)-(+)-1-Phenylpropylene oxide Molecule

• Chemical structure of (1R,2R)-(+)-1-Phenylpropylene oxide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (1R,2R)-(+)-1-Phenylpropylene oxide is available in chemical structure page of (1R,2R)-(+)-1-Phenylpropylene oxide, 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,2R)-(+)-1-Phenylpropylene oxide

  The molecular weight of (1R,2R)-(+)-1-Phenylpropylene oxide is available in molecular weight page of (1R,2R)-(+)-1-Phenylpropylene oxide, 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,2R)-(+)-1-Phenylpropylene oxide

  The chemical formula of (1R,2R)-(+)-1-Phenylpropylene oxide is given in chemical formula page of (1R,2R)-(+)-1-Phenylpropylene oxide, 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,2R)-(+)-1-Phenylpropylene oxide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (1R,2R)-(+)-1-Phenylpropylene oxide is:

  InChI=1S/C9H10O/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9+/m1/s1

  It can provide a standard way to encode the molecular information of (1R,2R)-(+)-1-Phenylpropylene oxide 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,2R)-(+)-1-Phenylpropylene oxide is:

  InChIKey=YVCOJTATJWDGEU-APPZFPTMSA-N

  The InChIKey may allow easier web searches for (1R,2R)-(+)-1-Phenylpropylene oxide, but it needs to be linked to the full InChI to get back to the original structure of the (1R,2R)-(+)-1-Phenylpropylene oxide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (1R,2R)-(+)-1-Phenylpropylene oxide

  The (1R,2R)-(+)-1-Phenylpropylene oxide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (1R,2R)-(+)-1-Phenylpropylene oxide including the registry numbers are listed below, if available:

  • (2R,3R)-()-2-Methyl-3-phenyloxirane
  • (1R,2R)-()-1-Phenylpropylene oxide
  • (2R,3R)-2-methyl-3-phenyl-oxirane

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(1R,2R)-(+)-1-Phenylpropylene oxide Identification Summary Frequently Asked Questions (FAQs)

What’s the (1R,2R)-(+)-1-Phenylpropylene oxide formula?
C9H10O
How many atoms and what elements are included in the (1R,2R)-(+)-1-Phenylpropylene oxide molecule?
20 atom(s) - 10 Hydrogen atom(s), 9 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the (1R,2R)-(+)-1-Phenylpropylene oxide structure?
21 bond(s) - 11 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 three-membered ring(s), 1 six-membered ring(s), 1 ether(s) (aliphatic), and 1 Oxirane(s)
What’s the (1R,2R)-(+)-1-Phenylpropylene oxide’s molar mass?
134.1751 g/mol
What’s the SMILES structure of (1R,2R)-(+)-1-Phenylpropylene oxide?
CC1OC1c2ccccc2
What’s the InChI code of (1R,2R)-(+)-1-Phenylpropylene oxide?
InChI=1S/C9H10O/c1-7-9(10-7)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9+/m1/s1
What’s the InChIKey format of (1R,2R)-(+)-1-Phenylpropylene oxide?
YVCOJTATJWDGEU-APPZFPTMSA-N

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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).