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Molecule
9H-Fluoren-9-One, Hydrazone
CAS: 13629-22-6 · C13H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13629-22-6
- Molecular Formula
- C13H10N2
- Molecular Mass
- 194.24 g/mol
Identifiers
CAS Registry Number
13629-22-6
SMILES
NN=C1c2ccccc2-c2ccccc21
InChI Key
YCNUILAKOMIBAL-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N2/c14-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,14H2
Names and Synonyms
- 9H-Fluoren-9-One, Hydrazone Systematic Name
- 9H-Fluoren-9-one, hydrazone Synonym
- Fluoren-9-one, hydrazone Synonym
- Fluorenone hydrazone Synonym
- NSC 24099 Synonym
- NSC 90662 Synonym
- Fluoren-9-ylidenehydrazine Synonym
- (9H-Fluoren-9-ylidene)hydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.24 g/mol | CAS Common Chemistry |
| 194.23699999999997 g/mol | RDKit | |
| 194.237 g/mol | RDKit | |
| Canonical SMILES | N(N)=C1C=2C=CC=CC2C=3C=CC=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10N2/c14-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YCNUILAKOMIBAL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 149 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 9H-Fluoren-9-one, hydrazone | 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 | 38.379999999999995 Ų | RDKit |
| 38.38 Ų | RDKit | |
| LogP | 2.3781000000000008 | RDKit |
| 2.3781 | RDKit | |
| Molar Refractivity | 61.70440000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 194.08439832 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 194.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10N2.
