SDF/Mol File of STYRENE (C8H8)
Identification of STYRENE Chemical Compound
Chemical Formula | C8H8 |
---|---|
Molecular Weight | 104.14912 g/mol |
IUPAC Name | ethenylbenzene |
SMILES String | C=Cc1ccccc1 |
InChI | InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 |
InChIKey | PPBRXRYQALVLMV-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of STYRENE is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of STYRENE molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
chemical table area
Search Another SDF·MOL File
Enter another compound to search for SDF·MOL file:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Deep Data Application Examples
Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:
- Thermophysical Property Datafile (IK-Cape File) for Process Simulators, e.g., Aspen Plus
- Free Radicals Thermodynamic Data for Oxidation, Combustion, and Thermal Cracking Kinetics
- Quantum Tools for IR Spectra Interpretation
- Instant Access to Molecular Orbitals
- Faster Quantum Calculations with Pre-Computed Results
- Chemical Big Data for Artificial Intelligence (AI) Developments
- Quantum Descriptors for QSAR·QSPR Modeling
- Deep Data Application Overview
Additional Information for Identifying STYRENE Molecule
-
Chemical structure of STYRENE
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of STYRENE is available in chemical structure page of STYRENE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
-
Molecular weight of STYRENE
The molecular weight of STYRENE is available in molecular weight page of STYRENE, 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 STYRENE
The chemical formula of STYRENE is given in chemical formula page of STYRENE, 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 STYRENE
An alternative way of expressing structural information in text format is InChI. The full standard InChI of STYRENE is:
InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
It can provide a standard way to encode the molecular information of STYRENE 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 STYRENE is:
InChIKey=PPBRXRYQALVLMV-UHFFFAOYSA-N
The InChIKey may allow easier web searches for STYRENE, but it needs to be linked to the full InChI to get back to the original structure of the STYRENE since the full standard InChI cannot be reconstructed from the InChIKey.
-
Other names (synonyms) or registry numbers of STYRENE
The STYRENE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of STYRENE including the registry numbers are listed below, if available:
- AR-1L5698
- BBV-42302669
- 98444-30-5
- 9055-91-8
- 9044-64-8
- 86090-91-7
- 852837-17-3
- 851588-70-0
- 81834-12-0
- 79637-11-9
- 78354-47-9
- 730985-59-8
- 726192-11-6
- 644984-36-1
- 63849-49-0
- 61584-90-5
- 61584-89-2
- 60880-98-0
- 60328-46-3
- 60120-16-3
- 58033-91-3
- 57657-06-4
- 56748-62-0
- 56451-72-0
- 55465-00-4
- 55128-06-8
- 54596-41-7
- 54578-24-4
- 53986-84-8
- 53112-49-5
- 52932-49-7
- 51609-87-1
- 51609-83-7
- 487021-46-5
- 471865-10-8
- 441772-62-9
- 40494-15-3
- 39470-87-6
- 373601-20-8
- 360046-70-4
- 359762-95-1
- 260975-79-9
- 25038-60-2
- 219782-52-2
- 172867-64-0
- 172641-48-4
- 171022-09-6
- 171022-02-9
- 161776-45-0
- 157929-02-7
- 157243-21-5
- 155197-45-8
- 149212-19-1
- 144637-93-4
- 137262-45-4
- 131495-39-1
- 1263545-74-9
- 12627-11-1
- 124229-48-7
- 124229-31-8
- 1227265-55-5
- 120534-26-1
- 120037-99-2
- 1198090-46-8
- 1191987-17-3
- 1187742-34-2
- 1161074-30-1
- 1160710-79-1
- 11120-46-0
- 110866-50-7
- 1083095-63-9
- 105270-05-1
- Styrene, ReagentPlus(R), contains 4-tert-butylcatechol as stabilizer, >=99%
- Polystyrene latex microsphere, fluorescent, 6.0 micron, 2.5 wt% dispersion in water
- Styrene solution, certified reference material, 200 mug/mL in methanol
- Polystyrene, minimum number average molecular weight (in amu), 50,000
- Polystyrene latex microsphere, 90.0 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 75.0 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 6.0 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 45.0 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 4.5 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 25.0 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 20.0 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 2 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 15.0 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 10.0 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 1 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 0.75 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 0.50 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 0.20 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 0.10 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 0.05 micron, 2.5 wt% dispersion in water
- Polystyrene latex microsphere, 2 micron, 10 wt% dispersion in water
- Polystyrene latex microsphere, 1 micron, 10 wt% dispersion in water
- Styrene monomer, inhibited [UN2055] [Flammable liquid]
- Polystyrene standard, MW ~ 1,300, MW/MN = 1.06 1g
- Z966690906
- Styrene monomer, inhibited [UN2055] [Flammable liquid]
- Polystyrene standard, M.W. 2,000,000, Mw/Mn 1.30
- F1908-0130
- Polystyrene standard, M.W. 900,000, Mw/Mn 1.10
- Polystyrene standard, M.W. 650,000, Mw/Mn 1.06
- Polystyrene standard, M.W. 65,000, Mw/Mn 1.06
- Polystyrene standard, M.W. 50,000, Mw/Mn 1.06
- Polystyrene standard, M.W. 400,000, Mw/Mn 1.06
- Polystyrene standard, M.W. 30,000, Mw/Mn 1.06
- Polystyrene standard, M.W. 290,000, Mw/Mn 1.06
- Polystyrene standard, M.W. 25,000, Mw/Mn 1.06
- Polystyrene standard, M.W. 170,000, Mw/Mn 1.06
- Polystyrene standard, M.W. 13,000, Mw/Mn 1.06
- Polystyrene standard, M.W. 123,000, Mw/Mn 1.08
- Polystyrene standard, M.W. 5,200, Mw/Mn 1.06
- Polystyrene standard, M.W. 4,000, Mw/Mn 1.06
- Polystyrene standard, M.W. 3,350, Mw/Mn 1.10
- Polystyrene standard, M.W. 2,200, Mw/Mn 1.06
- Polystyrene standard, M.W. 2,000, Mw/Mn 1.10
- Polystyrene standard, M.W. 1,300, Mw/Mn 1.06
- I01-4405
- Styrene, 99.5% stab. with 4-tert-Butylcatechol
- Polystyrene latex microsphere, 1 micron, dry form
- A800199
- Polystyrene,flame retarding and impact resistant
- Polystyrene (100-200 mesh, PEG crosslinked)
- S0651
- S0095
- POLY(1-PHENYL-2,2-ETHANEDIYL))
- 68441-35-0
- 12770-88-6
- Styrene, SAJ first grade, >=99.0%
- Styrene, 99%, stabilized 100ml
- ANW-14280
- 8053AF
- Styrene, ReagentPlus(R), 99.9%
- Styrene-divinylbenzene Copolymer
- Styrene Resin (Med.M.Wt.)
- BIDD:ER0247
- UN 2055 (Salt/Mix)
- ETHENYL, 2-PHENYL-
- Diarex hf 77 (Salt/Mix)
- TRANS-STYRENE-BETA-D
- Polystyrene high Mol. Wt.
- EC 202-851-5
- Polystyrene med Mol. Wt.
- BETA-CIS-STYRENE-D
- Benzene, ethenyl-, homopolymer, hydrogenated
- Styrene, >=99%
- Styropor (Salt/Mix)
- Styropol (Salt/Mix)
- Styrene polymer-bound
- CARINE
- Styron (Salt/Mix)
- Ethylbenzene alkylate
- 25086-18-4
- Ethylenated benzene
- Vinyl-polystyrene
- p-vinyl benzene
- Benzene-1,2,3,4,5-d5, 6-(ethenyl-1,2,2-d3)-
- viny lbenzol
- phenyl ethylene
- Styropor
- Cinnaminol
- Polystyrene, hydrogenated
- CAS-100-42-5
- MFCD00084450
- MFCD00008612
- Benzene-d5, ethenyl-d3-
- Styrene, analytical standard
- Polystyrene, atactic
- 44LJ2U959V
- Styrol (German)
- Styrene monomer, inhibited
- Phenylethylene, inhibited
- Vinylbenzene, inhibited
- Benzene, ethenyl-, homopolymer
- FEMA No. 3233
- Styrene (monomer)
- FEMA Number 3234
- Vinyl-benzene
- Styrene polymer
- Styron
- Styropol
- 9003-53-6
- Vinylbenzen [Dutch]
- Vinylbenzen [Czech]
- Stirolo [Italian]
- Styren [Czech]
- Styrol [German]
- Styreen [Dutch]
- Polysorb
- Cinnamol
- Cinnamenol
- Annamene
- Bulstren K-525-19
- POLYSTYRENE
- Diarex hf 77
- Styreen
- Stirolo
- Vinylbenzen
- Ethylene, phenyl-
- Benzene, vinyl-
- Styropol SO
- Vinyl benzene
- Styren
- Styrole
- Vinylbenzol
- Styrolene
- Phenethylene
- Styrene monomer
- Cinnamene
- Phenylethene
- Benzene, ethenyl-
- Styrol
- 100-42-5
- Vinylbenzene
- Phenylethylene
- STYRENE
STYRENE Identification Summary Frequently Asked Questions (FAQs)
What’s the STYRENE formula? |
---|
C8H8 |
How many atoms and what elements are included in the STYRENE molecule? |
16 atom(s) - 8 Hydrogen atom(s) and 8 Carbon atom(s) |
How many chemical bonds and what kind of bonds are in the STYRENE structure? |
16 bond(s) - 8 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), and 1 six-membered ring(s) |
What’s the STYRENE’s molar mass? |
104.14912 g/mol |
What’s the SMILES structure of STYRENE? |
C=Cc1ccccc1 |
What’s the InChI code of STYRENE? |
InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 |
What’s the InChIKey format of STYRENE? |
PPBRXRYQALVLMV-UHFFFAOYSA-N |
1026
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).