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Fluorene-2-Carboxaldehyde
CAS: 30084-90-3 | C14H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
30084-90-3
Molecular Formula:
C14H10O
Molecular Mass:
194.23 g/mol
Names and Synonyms:
Fluorene-2-Carboxaldehyde
9H-Fluorene-2-carboxaldehyde
Fluorene-2-carboxaldehyde
2-Formylfluorene
1H-Fluorene-2-carboxaldehyde
Fluorene-2-carbaldehyde
9H-Fluoren-2-yl-carboxaldehyde
9H-Fluorene-2-carbaldehyde
Identifiers:
SMILES:
O=Cc1ccc2c(c1)Cc1ccccc1-2
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
Key Properties
Boiling Point
363.8 °C
CAS Common Chemistry
Melting Point
174-175 °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 | 194.23 g/mol | CAS Common Chemistry |
| 194.233 g/mol | RDKit | |
| 194.07316494 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 |
| Molar Refractivity | 60.07150000000003 | RDKit |
