Back to Search
Molecule
Syringol
CAS: 91-10-1 · C8H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 91-10-1
- Molecular Formula
- C8H10O3
- Molecular Mass
- 154.17 g/mol
Identifiers
CAS Registry Number
91-10-1
SMILES
COc1cccc(OC)c1O
InChI Key
KLIDCXVFHGNTTM-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
Names and Synonyms
- Syringol Synonym
- Phenol, 2,6-dimethoxy- Synonym
- 2,6-Dimethoxyphenol Synonym
- Pyrogallol 1,3-dimethyl ether Synonym
- Syringol Synonym
- 2-Hydroxy-1,3-dimethoxybenzene Synonym
- 1,3-Dimethoxy-2-hydroxybenzene Synonym
- 2,6-Dimethoxyphenic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.17 g/mol | CAS Common Chemistry |
| 154.165 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Syringol | CAS Common Chemistry |
| Boiling Point | 261 °C | CAS Common Chemistry |
| Canonical SMILES | OC=1C(OC)=CC=CC1OC | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KLIDCXVFHGNTTM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 56.5 °C | CAS Common Chemistry |
| Name | 2,6-Dimethoxyphenol | CAS Common Chemistry |
| Syringol | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.69 Ų | RDKit |
| LogP | 1.4093999999999998 | RDKit |
| 1.4094 | RDKit | |
| Molar Refractivity | 41.21080000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 154.06299418 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
Convert
Quick conversion
MW = 154.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O3.
