Structure & Deep Data of Parapropamol (C9H11NO2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Parapropamol molecule contains a total of 23 bond(s). There are 12 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 aromatic hydroxyl(s). Images of the chemical structure of Parapropamol are given below:

The 2D chemical structure image of Parapropamol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Parapropamol are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Parapropamol is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Parapropamol. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Parapropamol Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Parapropamol

  The SMILES string of Parapropamol is CCC(=O)Nc1ccc(O)cc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Parapropamol.

• Structure Data File (SDF/MOL File) of Parapropamol

  The structure data file (SDF/MOL File) of Parapropamol is available for download in the SDF page of Parapropamol, which provides the information about the atoms, bonds, connectivity and coordinates of Parapropamol. The Parapropamol structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Parapropamol

  The molecular formula of Parapropamol is available in chemical formula page of Parapropamol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Parapropamol

  The molecular weight of Parapropamol is available in molecular weight page of Parapropamol, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Parapropamol

  The Parapropamol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Parapropamol including the various registry numbers, if available:

  • I14-30903
  • SR-01000944893-1
  • J-010528
  • C-42002
  • Z-0728
  • EN300-104019
  • N-(4-Hydroxyphenyl)propanamide, AldrichCPR
  • BBV-180264
  • AR-1G2878
  • 5461AD

  • ZX-AS003627
  • N-(4-Hydroxy-phenyl)-propionamide
  • N-(4-Hydroxyphenyl)propanamide #
  • I729P6N0P7
  • n-(4-hydroxyphenyl)-propionamide
  • BBB/392
  • ARONIS011790
  • 4'-Hydroxypropionanilid
  • n-Propionylparacetamol
  • akos bbb/392

  • acetaminophene imp b
  • Propanamide, N-(4-hydroxyphenyl)-
  • parapropanol
  • Parapropamolum [INN-Latin]
  • Parapropamolo [DCIT]
  • CAS-1693-37-4
  • Parapropamolum
  • Parapropamolo
  • 4-propionamidophenol (acetaminophen impurity b)
  • Propanamide,N-(4-hydroxyphenyl)-

  • N-(4-Hydroxyphenyl)propionamide
  • 2-methyl-4-hydroxyacetanilide
  • 4'-Hydroxypropionanilide
  • 1693-37-4
  • Parapropamol

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Parapropamol Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Parapropamol?
C9H11NO2
How many atoms and what are the elements included the Parapropamol molecule?
23 atom(s) - 11 Hydrogen atom(s), 9 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Parapropamol structure?
23 bond(s) - 12 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 aromatic hydroxyl(s)
What’s the Parapropamol’s molecular weight?
165.18914 g/mol
What’s the SMILES code of Parapropamol?
CCC(=O)Nc1ccc(O)cc1
What’s the InChI string of Parapropamol?
InChI=1S/C9H11NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12)
What’s the InChIKey code of Parapropamol?
SSMYTAQHMUHRSK-UHFFFAOYSA-N

38 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).