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9-Methylene-Fluorene
CAS: 4425-82-5 | C14H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4425-82-5
Molecular Formula:
C14H10
Molecular Mass:
178.23 g/mol
Names and Synonyms:
9-Methylene-Fluorene
9H-Fluorene, 9-methylene-
Fluorene, 9-methylene-
9-Methylene-9H-fluorene
Dibenzofulvene
Dibenzfulvene
1,2:3,4-Dibenzofulvene
9-Methylenefluorene
Fluorenylidenemethane
9-Methylidenefluorene
Identifiers:
SMILES:
C=C1c2ccccc2-c2ccccc21
InChI:
InChI=1S/C14H10/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14/h2-9H,1H2
Key Properties
Melting Point
46-48 °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 | 178.23 g/mol | CAS Common Chemistry |
| 178.23399999999998 g/mol | RDKit | |
| 178.07825032 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/9-Methylene-fluorene | CAS Common Chemistry |
| Canonical SMILES | C=C1C=2C=CC=CC2C=3C=CC=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C14H10/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14/h2-9H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZYASLTYCYTYKFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 46-48 °C | CAS Common Chemistry |
| Name | Dibenzofulvene | CAS Common Chemistry |
| 9-Methylene-fluorene | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.728500000000002 | RDKit |
| Molar Refractivity | 60.01400000000003 | RDKit |
