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Molecule
9-Methylene-Fluorene
CAS: 4425-82-5 · C14H10
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4425-82-5
- Molecular Formula
- C14H10
- Molecular Mass
- 178.23 g/mol
Identifiers
CAS Registry Number
4425-82-5
SMILES
C=C1c2ccccc2-c2ccccc21
InChI Key
ZYASLTYCYTYKFC-UHFFFAOYSA-N
InChI
InChI=1S/C14H10/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14/h2-9H,1H2
Names and Synonyms
- 9-Methylene-Fluorene Synonym
- 9H-Fluorene, 9-methylene- Synonym
- Fluorene, 9-methylene- Synonym
- 9-Methylene-9H-fluorene Synonym
- Dibenzofulvene Synonym
- Dibenzfulvene Synonym
- 1,2:3,4-Dibenzofulvene Synonym
- 9-Methylenefluorene Synonym
- Fluorenylidenemethane Synonym
- 9-Methylidenefluorene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.23 g/mol | CAS Common Chemistry |
| 178.23399999999998 g/mol | RDKit | |
| 178.234 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 |
| 3.7285 | RDKit | |
| Molar Refractivity | 60.01400000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 178.07825032 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 = 178.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H10.
