Structure of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one (C10H10O3)

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Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one molecule contains a total of 24 bond(s). There are 14 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 ketone(s) (aromatic), and 2 ether(s) (aromatic). Images of the chemical structure of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one are given below:

The 2D chemical structure image of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one 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 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one 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 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one

  The SMILES string of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one is CCC(=O)c2ccc1OCOc1c2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one.

• Structure Data File (SDF/MOL File) of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one

  The structure data file (SDF/MOL File) of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one is available for download in the SDF page of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one, which provides the information about the atoms, bonds, connectivity and coordinates of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one. The 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one

  The molecular formula of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one is available in chemical formula page of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one

  The molecular weight of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one is available in molecular weight page of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one, 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 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one

  The 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one including the various registry numbers, if available:

  • BBV-34553140
  • AR-1G9444
  • 1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)propan-1-one
  • 1-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)propan-1-one
  • J-017030
  • I14-3272
  • 1-(3,4-METHYLENEDIOXYPHENYL)-1-PROPANONE
  • Propiophenone, 3',4'-(methylenedioxy)- (8CI)
  • 3',4'-(Methylenedioxy)propiophenone, AldrichCPR
  • 1-BENZO[1,3]DIOXOL-5-YL-PROPAN-1-ONE

  • X8231
  • 3,4-5(METHYLENEDIOXY)PROPIOPHENONE
  • 1-Propanone,1-(1,3-benzodioxol-5-yl)-
  • 1-(1,3-benzodioxol-5-yl)-propan-1-one
  • Propiophenone, 3',4'-(methylenedioxy)-
  • 3',4'-(METHYLENEDIOXY)PROPIOPHE
  • 3,4-(Methylenedioxyphenyl)-1-propanone
  • 1,3-BENZODIOXOLE-5-PROPANOYL
  • MFCD00016652
  • ANW-46051

  • OTAVA-BB 1312982
  • 3,4-Methylenedioxy Propiophenone
  • 5-Propanoyl-1,3-benzodioxole
  • 5-propanoylbenzo[1,3]dioxol
  • 3,4- PROPIOPHENONE
  • 3,4-(METHYLENEDIOXY)PROPIOPHENONE
  • 3,4-Methylenedioxypropiophenone
  • 3',4'-Methylenedioxypropiophenone
  • 5-propionyl-1,3-benzodioxole
  • 1-(1,3-Benzodioxol-5-yl)propan-1-one

  • 1-Propanone, 1-(1,3-benzodioxol-5-yl)-
  • 3',4'-(Methylenedioxy)propiophenone
  • 1-(1,3-Benzodioxol-5-yl)-1-propanone
  • 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one
  • 28281-49-4

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1-(benzo[d][1,3]dioxol-5-yl)propan-1-one Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one?
C10H10O3
How many atoms and what are the elements included the 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one molecule?
23 atom(s) - 10 Hydrogen atom(s), 10 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one structure?
24 bond(s) - 14 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s), 1 ketone(s) (aromatic), and 2 ether(s) (aromatic)
What’s the 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one’s molecular weight?
178.1846 g/mol
What’s the SMILES code of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one?
CCC(=O)c2ccc1OCOc1c2
What’s the InChI string of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one?
InChI=1S/C10H10O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5H,2,6H2,1H3
What’s the InChIKey code of 1-(benzo[d][1,3]dioxol-5-yl)propan-1-one?
RVBJGSPBFIUTTR-UHFFFAOYSA-N