SDF/Mol File of (R)-tropic acid (C9H10O3)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (R)-tropic acid Molecule

• Chemical structure of (R)-tropic acid

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (R)-tropic acid is available in chemical structure page of (R)-tropic acid, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (R)-tropic acid

  The molecular weight of (R)-tropic acid is available in molecular weight page of (R)-tropic acid, 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 (R)-tropic acid

  The chemical formula of (R)-tropic acid is given in chemical formula page of (R)-tropic acid, 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 (R)-tropic acid

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (R)-tropic acid is:

  InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1

  It can provide a standard way to encode the molecular information of (R)-tropic acid 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 (R)-tropic acid is:

  InChIKey=JACRWUWPXAESPB-QMMMGPOBSA-N

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

• Other names (synonyms) or registry numbers of (R)-tropic acid

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

  • QE0870Q3EQ
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, (alphaR)-
  • Tropic acid, (+)-
  • D-Tropic acid
  • (R)-3-Hydroxy-2-phenylpropanoic acid
  • 17126-67-9
  • (R)-tropic acid

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(R)-tropic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the (R)-tropic acid formula?
C9H10O3
How many atoms and what elements are included in the (R)-tropic acid molecule?
22 atom(s) - 10 Hydrogen atom(s), 9 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the (R)-tropic acid structure?
22 bond(s) - 12 non-H bond(s), 7 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 2 hydroxyl group(s), and 1 primary alcohol(s)
What’s the (R)-tropic acid’s molar mass?
166.1739 g/mol
What’s the SMILES structure of (R)-tropic acid?
OCC(C(O)=O)c1ccccc1
What’s the InChI code of (R)-tropic acid?
InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
What’s the InChIKey format of (R)-tropic acid?
JACRWUWPXAESPB-QMMMGPOBSA-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).