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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 Weight:
154.165 g/mol
Names and Synonyms:
Syringol
Phenol, 2,6-dimethoxy-
2,6-Dimethoxyphenol
Pyrogallol 1,3-dimethyl ether
Syringol
2-Hydroxy-1,3-dimethoxybenzene
1,3-Dimethoxy-2-hydroxybenzene
2,6-Dimethoxyphenic acid
Identifiers:
SMILES:
COc1cccc(OC)c1O
InChI:
InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 154.165 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.06299418 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 38.69 Ų | RDKit |
| Physical Properties | LogP | 1.4093999999999998 | RDKit |
| molecular_mass | 154.17 g/mol | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Syringol | Legacy Database | |
| cas-boiling-point | 261 °C | Legacy Database | |
| cas-canonical-smile | OC=1C(OC)=CC=CC1OC | Legacy Database | |
| cas-inchi | InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=KLIDCXVFHGNTTM-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 56.5 °C | Legacy Database | |
| cas-name | 2,6-Dimethoxyphenol | Legacy Database | |
| wikipedia-name | Syringol | Legacy Database | |
| Molar | Molar Refractivity | 41.21080000000002 | RDKit |
