Home SDF/Mol File 9-Hydroxyfluorene

SDF/Mol File of 9-Hydroxyfluorene (C13H10O)

Identification of 9-Hydroxyfluorene Chemical Compound

2D chemical structure image of 9-Hydroxyfluorene
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.

Ball-and-stick model of 9-Hydroxyfluorene
Ball-and-stick model of 9-Hydroxyfluorene

Additional Information for Identifying 9-Hydroxyfluorene Molecule

  • 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.

  • 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.

  • 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.

  • 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.

  • 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:

    • 9-Hydroxyfluorene
    • 9H-Fluoren-9-ol
    • 1689-64-1
    • 9-Fluorenol
    • Fluoren-9-ol
    • 9-Hydroxy fluorene
    • Fluorenol
    • Diphenylene carbinol
    • MFCD00001135
    • hydroxyfluoren
    • 9-hydroxy-fluoren
    • 9H-Fluorene-9-ol
    • timtec-bb sbb007717
    • 9-Hydroxyfluorene, 96%
    • bmse000564
    • 9-hydroxy-9h-fluoren-9-yl
    • BIDD:ER0390
    • 9-Fluorenol, 98% 25g
    • 9-Hydroxyfluorene; 9-Fluorenol
    • Jsp003422
    • BV0Q72R613
    • ANW-22383
    • BDBM50303916
    • RTR-031099
    • TRA-0207048
    • L899
    • F0229
    • I14-0867
    • Q-101164
    • I14-21867
    • AR-1H5676
    • BBV-46884098
    • EN300-20827

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: Mol-Instincts Chemical Database, Predicted on Quantum.
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