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2-Dibenzofuranol
CAS: 86-77-1 | C12H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
86-77-1
Molecular Formula:
C12H8O2
Molecular Mass:
184.19 g/mol
Names and Synonyms:
2-Dibenzofuranol
NSC 10863
2-Dibenzofuranol
3-Hydroxybiphenylene oxide
2-Hydroxydibenzofuran
Dibenzo[b,d]furan-2-ol
2-Dibenzofuranol, 4a,9b-dihydro-
Identifiers:
SMILES:
Oc1ccc2oc3ccccc3c2c1
InChI:
InChI=1S/C12H8O2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,13H
Key Properties
Boiling Point
348 °C @ Press: 758 Torr
CAS Common Chemistry
Melting Point
136 °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 | 184.19 g/mol | CAS Common Chemistry |
| 184.194 g/mol | RDKit | |
| 184.052429496 g/mol | RDKit | |
| Boiling Point | 348 °C @ Press: 758 Torr | CAS Common Chemistry |
| Canonical SMILES | OC=1C=CC=2OC=3C=CC=CC3C2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H8O2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,13H | CAS Common Chemistry |
| InChI Key | InChIKey=HGIDRHWWNZRUEP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 136 °C | CAS Common Chemistry |
| Name | 2-Dibenzofuranol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 33.370000000000005 Ų | RDKit |
| LogP | 3.2916000000000016 | RDKit |
| Molar Refractivity | 55.38480000000003 | RDKit |
