Back to Search
Hydroquinone
CAS: 123-31-9 | C6H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
123-31-9
Molecular Formula:
C6H6O2
Molecular Weight:
110.11199999999998 g/mol
Names and Synonyms:
Hydroquinone
1,4-Benzenediol
Hydroquinone
Arctuvin
p-Benzenediol
Benzohydroquinone
Benzoquinol
p-Dihydroxybenzene
Eldoquin
Hydroquinol
Quinol
Tecquinol
Tenox HQ
p-Dioxybenzene
p-Hydroquinone
1,4-Dihydroxybenzene
p-Hydroxyphenol
HE 5
Diak 5
Eldopaque
Phiaquin
4-Hydroxyphenol
Dihydroquinone
p-Quinol
BQ(H)
p-Dihydroquinone
1,4-Benzoquinol
p-Phenylenediol
Eldoquin Forte
Solaquin Forte
Black & White Bleaching Cream
Eldopacque
Aida
Eldopaque Forte
NSC 9247
Solution Q
1,4-p-Benzenediol
1,4-Phenylenediol
1,4-Benzenediol (hydroquinone)
Identifiers:
SMILES:
Oc1ccc(O)cc1
InChI:
InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 110.11199999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 110.036779432 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0977999999999999 | RDKit |
| molecular_mass | 110.11 g/mol | Legacy Database |
| density | 1.33 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Hydroquinone None | Legacy Database |
| cas-boiling-point | 285-287 °C None | Legacy Database |
| cas-canonical-smile | OC1=CC=C(O)C=C1 None | Legacy Database |
| cas-density | 1.332 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H None | Legacy Database |
| cas-inchi-key | InChIKey=QIGBRXMKCJKVMJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 170-171 °C None | Legacy Database |
| cas-name | Hydroquinone None | Legacy Database |
| wikipedia-name | Hydroquinone None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.771599999999996 | RDKit |
