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Molecule
Fluorene-2-Carboxaldehyde
CAS: 30084-90-3 · C14H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 30084-90-3
- Molecular Formula
- C14H10O
- Molecular Mass
- 194.23 g/mol
Identifiers
CAS Registry Number
30084-90-3
SMILES
O=Cc1ccc2c(c1)Cc1ccccc1-2
InChI Key
MNQGEQSXFDKAPY-UHFFFAOYSA-N
InChI
InChI=1S/C14H10O/c15-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/h1-7,9H,8H2
Names and Synonyms
- Fluorene-2-Carboxaldehyde Synonym
- 9H-Fluorene-2-carboxaldehyde Synonym
- Fluorene-2-carboxaldehyde Synonym
- 2-Formylfluorene Synonym
- 1H-Fluorene-2-carboxaldehyde Synonym
- Fluorene-2-carbaldehyde Synonym
- 9H-Fluoren-2-yl-carboxaldehyde Synonym
- 9H-Fluorene-2-carbaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.23 g/mol | CAS Common Chemistry |
| 194.233 g/mol | RDKit | |
| Boiling Point | 363.8 °C | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC=C2C=3C=CC=CC3CC2=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H10O/c15-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/h1-7,9H,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MNQGEQSXFDKAPY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 174-175 °C | CAS Common Chemistry |
| Name | Fluorene-2-carboxaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 3.0703000000000014 | RDKit |
| 3.0703 | RDKit | |
| Molar Refractivity | 60.07150000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 194.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 194.23 g/mol. Edit any field — others recompute live.
