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Structure & Deep Data of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- (C9H7ClO4)

Identification of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- Chemical Compound

2D chemical structure image of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)-
Chemical Formula C9H7ClO4
Molecular Weight 214.60248 g/mol
IUPAC Name methyl 3-[5-(carbonochloridoyl)furan-2-yl]prop-2-enoate
SMILES String COC(=O)C=Cc1ccc(o1)C(Cl)=O
InChI InChI=1S/C9H7ClO4/c1-13-8(11)5-3-6-2-4-7(14-6)9(10)12/h2-5H,1H3
InChIKey CDHJTILDESBRHP-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- molecule contains a total of 21 bond(s). There are 14 non-H bond(s), 8 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 ester(s) (aliphatic), 1 acyl halogenide(s) (aromatic), and 1 Furane(s). Images of the chemical structure of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- are given below:

2D chemical structure image of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)-
2-dimensional (2D) chemical structure image of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)-
3D chemical structure image of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)-
3-dimensional (3D) chemical structure image of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)-

The 2D chemical structure image of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- 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 ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- 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 ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)-. Download structure data file (SDF/MOL) file of this compound.

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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- is provided here.

The ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.

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  • CAS #: 64-17-5
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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- Molecule

  • Other names (synonyms) or registry numbers of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)-

    The ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- including the various registry numbers, if available:

    • ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)-

ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)-?
C9H7ClO4
How many atoms and what are the elements included the ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- molecule?
21 atom(s) - 7 Hydrogen atom(s), 9 Carbon atom(s), 4 Oxygen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)- structure?
21 bond(s) - 14 non-H bond(s), 8 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), 1 ester(s) (aliphatic), 1 acyl halogenide(s) (aromatic), and 1 Furane(s)
What’s the ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)-’s molecular weight?
214.60248 g/mol
What’s the SMILES code of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)-?
COC(=O)C=Cc1ccc(o1)C(Cl)=O
What’s the InChI string of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)-?
InChI=1S/C9H7ClO4/c1-13-8(11)5-3-6-2-4-7(14-6)9(10)12/h2-5H,1H3
What’s the InChIKey code of ACRYLIC ACID 3-[5-(CHLOROCARBONYL)-FURAN-2-YL]-,METHYL ESTER,(E)-?
CDHJTILDESBRHP-UHFFFAOYSA-N

46 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).

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