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Molecule
Fluorenone Oxime
CAS: 2157-52-0 · C13H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2157-52-0
- Molecular Formula
- C13H9NO
- Molecular Mass
- 195.22 g/mol
Identifiers
CAS Registry Number
2157-52-0
SMILES
ON=C1c2ccccc2-c2ccccc21
InChI Key
CRNNFEKVPRFZKJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H9NO/c15-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,15H
Names and Synonyms
- Fluorenone Oxime Synonym
- 9H-Fluoren-9-one, oxime Synonym
- Fluoren-9-one, oxime Synonym
- Fluorenone oxime Synonym
- 9-Oximinofluorene Synonym
- NSC 1988 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.22 g/mol | CAS Common Chemistry |
| 195.22099999999998 g/mol | RDKit | |
| 195.221 g/mol | RDKit | |
| Canonical SMILES | ON=C1C=2C=CC=CC2C=3C=CC=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C13H9NO/c15-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,15H | CAS Common Chemistry |
| InChI Key | InChIKey=CRNNFEKVPRFZKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 132-135 °C | CAS Common Chemistry |
| Name | Fluorenone oxime | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.893600000000001 | RDKit |
| 2.8936 | RDKit | |
| Molar Refractivity | 59.30350000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 195.068413908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 195.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H9NO.
