Structure & Deep Data of PHENYLACETIC ACID (C8H8O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The PHENYLACETIC ACID molecule contains a total of 18 bond(s). There are 10 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 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of PHENYLACETIC ACID are given below:

The 2D chemical structure image of PHENYLACETIC ACID is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of PHENYLACETIC ACID 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 PHENYLACETIC ACID 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 PHENYLACETIC ACID. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying PHENYLACETIC ACID Molecule

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

  The SMILES string of PHENYLACETIC ACID is OC(=O)Cc1ccccc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the PHENYLACETIC ACID.

• Structure Data File (SDF/MOL File) of PHENYLACETIC ACID

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

• Chemical formula of PHENYLACETIC ACID

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

• Molecular weight of PHENYLACETIC ACID

  The molecular weight of PHENYLACETIC ACID is available in molecular weight page of PHENYLACETIC ACID, 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 PHENYLACETIC ACID

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

  • BBV-72811387
  • Tropicamide impurity D (Phenylacetic acid - Drug Precursor), European Pharmacopoeia (EP) Reference Standard
  • Tropicamide Related Compound D, United States Pharmacopeia (USP) Reference Standard
  • 8727557E-AA75-49E9-8E5A-7A2412D71888
  • I14-7335
  • Phenylacetic acid, plant cell culture tested
  • Phenylacetic acid, natural, >=99%, FG
  • Phenylacetic acid, >=99%, FCC, FG
  • RTC-020466
  • Phenylacetic acid, analytical standard

  • Phenylacetic acid, natural, >=99%
  • MFCD00037803
  • MFCD00004313
  • Phenylacetic acid_GurudeebanSatyavani
  • PHENYL(ACETIC ACID-1-13C)
  • 13005-36-2 (potassium salt)
  • 52009-49-1 (calcium salt)
  • 114-70-5 (hydrochloride salt)
  • 7188-16-1 (ammonium salt)
  • HMDB00209

  • BDBM16419
  • ER5I1W795A
  • METHYL, CARBOXYPHENYL-
  • Epitope ID:116202
  • bmse000220
  • Phenylacetic acid, 99%
  • Phenylacetate, XIX
  • w-Phenylacetic acid
  • organic white solid
  • omega-Phenylacetate

  • Benzeneacetiic acid
  • a-Toluic acid
  • a-Toluate
  • alpha-Toluate
  • w-Phenylacetate
  • Phenylethanoate
  • CAS-103-82-2
  • Benzeneacetate
  • .omega.-Phenylacetic acid
  • PHENYL-ACETIC ACID

  • 2-phenyl-acetic acid
  • .alpha.-Toluic acid
  • FEMA No. 2878
  • PHENYL ACETIC ACID
  • omega-Phenylacetic acid
  • Kyselina fenyloctova [Czech]
  • Phenylacetic acid (natural)
  • Kyselina fenyloctova
  • Benzylcarboxylic acid
  • Phenyllacetic acid

  • Benzylformic acid
  • phenylacetate
  • Acetic acid, phenyl-
  • Benzenacetic acid
  • Phenylethanoic acid
  • alpha-Toluic acid
  • 103-82-2
  • Benzeneacetic acid
  • PHENYLACETIC ACID

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PHENYLACETIC ACID Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of PHENYLACETIC ACID?
C8H8O2
How many atoms and what are the elements included the PHENYLACETIC ACID molecule?
18 atom(s) - 8 Hydrogen atom(s), 8 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the PHENYLACETIC ACID structure?
18 bond(s) - 10 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 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s)
What’s the PHENYLACETIC ACID’s molecular weight?
136.14792 g/mol
What’s the SMILES code of PHENYLACETIC ACID?
OC(=O)Cc1ccccc1
What’s the InChI string of PHENYLACETIC ACID?
InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
What’s the InChIKey code of PHENYLACETIC ACID?
WLJVXDMOQOGPHL-UHFFFAOYSA-N

4420 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).