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Molecule
2,7-Dihydroxyfluoren-9-One
CAS: 42523-29-5 · C13H8O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 42523-29-5
- Molecular Formula
- C13H8O3
- Molecular Mass
- 212.20 g/mol
Identifiers
CAS Registry Number
42523-29-5
SMILES
O=C1c2cc(O)ccc2-c2ccc(O)cc21
InChI Key
CWHPQXRTQSNTRR-UHFFFAOYSA-N
InChI
InChI=1S/C13H8O3/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6,14-15H
Names and Synonyms
- 2,7-Dihydroxyfluoren-9-One Synonym
- 9H-Fluoren-9-one, 2,7-dihydroxy- Synonym
- 2,7-Dihydroxy-9H-fluoren-9-one Synonym
- RMI 15,152 Synonym
- 2,7-Dihydroxyfluoren-9-one Synonym
- RMI 15152 Synonym
- 9-Fluorenone-2,7-diol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.20 g/mol | CAS Common Chemistry |
| 212.20399999999998 g/mol | RDKit | |
| 212.204 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=C(O)C=CC2C3=CC=C(O)C=C13 | CAS Common Chemistry |
| InChI | InChI=1S/C13H8O3/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6,14-15H | CAS Common Chemistry |
| InChI Key | InChIKey=CWHPQXRTQSNTRR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 338 °C | CAS Common Chemistry |
| Name | 2,7-Dihydroxyfluoren-9-one | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 2.3091999999999997 | RDKit |
| 2.3092 | RDKit | |
| Molar Refractivity | 58.640100000000025 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 212.047344116 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 = 212.20 g/mol. Edit any field — others recompute live.
