SDF/Mol File of 9-Hydroxyfluorene (C13H10O)
Identification of 9-Hydroxyfluorene Chemical Compound
| Chemical Formula | C13H10O |
|---|---|
| Molecular Weight | 182.2179 g/mol |
| IUPAC Name | 9H-fluoren-9-ol |
| SMILES String | OC2c1ccccc1c3ccccc23 |
| InChI | InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H |
| InChIKey | AFMVESZOYKHDBJ-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 9-Hydroxyfluorene 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 9-Hydroxyfluorene 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.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 9-Hydroxyfluorene Molecule
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Chemical structure of 9-Hydroxyfluorene
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 9-Hydroxyfluorene is available in chemical structure page of 9-Hydroxyfluorene, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of 9-Hydroxyfluorene
The molecular weight of 9-Hydroxyfluorene is available in molecular weight page of 9-Hydroxyfluorene, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of 9-Hydroxyfluorene
The chemical formula of 9-Hydroxyfluorene is given in chemical formula page of 9-Hydroxyfluorene, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of 9-Hydroxyfluorene
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 9-Hydroxyfluorene is:
InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
It can provide a standard way to encode the molecular information of 9-Hydroxyfluorene 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 9-Hydroxyfluorene is:
InChIKey=AFMVESZOYKHDBJ-UHFFFAOYSA-N
The InChIKey may allow easier web searches for 9-Hydroxyfluorene, but it needs to be linked to the full InChI to get back to the original structure of the 9-Hydroxyfluorene since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 9-Hydroxyfluorene
The 9-Hydroxyfluorene compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 9-Hydroxyfluorene including the registry numbers are listed below, if available:
- EN300-20827
- BBV-46884098
- AR-1H5676
- I14-21867
- Q-101164
- I14-0867
- F0229
- L899
- TRA-0207048
- RTR-031099
- BDBM50303916
- ANW-22383
- BV0Q72R613
- Jsp003422
- 9-Hydroxyfluorene; 9-Fluorenol
- 9-Fluorenol, 98% 25g
- BIDD:ER0390
- 9-hydroxy-9h-fluoren-9-yl
- bmse000564
- 9-Hydroxyfluorene, 96%
- timtec-bb sbb007717
- 9H-Fluorene-9-ol
- 9-hydroxy-fluoren
- hydroxyfluoren
- MFCD00001135
- Diphenylene carbinol
- Fluorenol
- 9-Hydroxy fluorene
- Fluoren-9-ol
- 9-Fluorenol
- 1689-64-1
- 9-Hydroxyfluorene
9-Hydroxyfluorene Identification Summary Frequently Asked Questions (FAQs)
| What’s the 9-Hydroxyfluorene formula? |
|---|
| C13H10O |
| How many atoms and what elements are included in the 9-Hydroxyfluorene molecule? |
| 24 atom(s) - 10 Hydrogen atom(s), 13 Carbon atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the 9-Hydroxyfluorene structure? |
| 26 bond(s) - 16 non-H bond(s), 12 multiple bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 2 nine-membered ring(s), 1 hydroxyl group(s), and 1 secondary alcohol(s) |
| What’s the 9-Hydroxyfluorene’s molar mass? |
| 182.2179 g/mol |
| What’s the SMILES structure of 9-Hydroxyfluorene? |
| OC2c1ccccc1c3ccccc23 |
| What’s the InChI code of 9-Hydroxyfluorene? |
| InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H |
| What’s the InChIKey format of 9-Hydroxyfluorene? |
| AFMVESZOYKHDBJ-UHFFFAOYSA-N |
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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).