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2-Acetyl-9H-Fluorene
CAS: 781-73-7 | C15H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
781-73-7
Molecular Formula:
C15H12O
Molecular Mass:
208.26 g/mol
Names and Synonyms:
2-Acetyl-9H-Fluorene
Ethanone, 1-(9H-fluoren-2-yl)-
Ketone, fluoren-2-yl methyl
1-(9H-Fluoren-2-yl)ethanone
2-Acetylfluorene
2-Acetofluorene
2-Fluorenyl methyl ketone
2-Acetyl-9H-fluorene
NSC 12351
1-(9H-Fluoren-2-yl)ethan-1-one
Identifiers:
SMILES:
CC(=O)c1ccc2c(c1)Cc1ccccc1-2
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
Key Properties
Boiling Point
172-173 °C @ Press: 0.05 Torr
CAS Common Chemistry
Melting Point
132 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.26 g/mol | CAS Common Chemistry |
| 208.25999999999996 g/mol | RDKit | |
| 208.088815004 g/mol | RDKit | |
| Boiling Point | 172-173 °C @ Press: 0.05 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 64.68850000000003 | RDKit |
