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Molecule
2-Acetyl-9H-Fluorene
CAS: 781-73-7 · C15H12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 781-73-7
- Molecular Formula
- C15H12O
- Molecular Mass
- 208.26 g/mol
Identifiers
CAS Registry Number
781-73-7
SMILES
CC(=O)c1ccc2c(c1)Cc1ccccc1-2
InChI Key
IBASEVZORZFIIH-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O/c1-10(16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15/h2-8H,9H2,1H3
Names and Synonyms
- 2-Acetyl-9H-Fluorene Systematic Name
- Ethanone, 1-(9H-fluoren-2-yl)- Synonym
- Ketone, fluoren-2-yl methyl Synonym
- 1-(9H-Fluoren-2-yl)ethanone Synonym
- 2-Acetylfluorene Synonym
- 2-Acetofluorene Synonym
- 2-Fluorenyl methyl ketone Synonym
- 2-Acetyl-9H-fluorene Synonym
- NSC 12351 Synonym
- 1-(9H-Fluoren-2-yl)ethan-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.26 g/mol | CAS Common Chemistry |
| 208.25999999999996 g/mol | RDKit | |
| Canonical SMILES | O=C(C1=CC=C2C=3C=CC=CC3CC2=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O/c1-10(16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15/h2-8H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IBASEVZORZFIIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 132 °C | CAS Common Chemistry |
| Name | 2-Acetyl-9H-fluorene | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.4604000000000026 | RDKit |
| 3.4604 | RDKit | |
| Molar Refractivity | 64.68850000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 208.088815004 g/mol | RDKit |
| Boiling Point | 172-173 °C @ 0.05 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 208.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H12O.
