Back to Search
Syringaldehyde
CAS: 134-96-3 | C9H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
134-96-3
Molecular Formula:
C9H10O4
Molecular Mass:
182.17 g/mol
Names and Synonyms:
Syringaldehyde
Benzaldehyde, 4-hydroxy-3,5-dimethoxy-
4-Hydroxy-3,5-dimethoxybenzaldehyde
3,5-Dimethoxy-4-hydroxybenzaldehyde
4-Formyl-2,6-dimethoxyphenol
Gallaldehyde 3,5-dimethyl ether
Syringaldehyde
Syringic aldehyde
Cedar aldehyde
2,6-Dimethoxy-4-formylphenol
NSC 41153
SM 707
VND 3207
4-Formylsyringol
Identifiers:
SMILES:
COc1cc(C=O)cc(OC)c1O
InChI:
InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3
Key Properties
Melting Point
113 °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 | 182.17 g/mol | CAS Common Chemistry |
| 182.17499999999998 g/mol | RDKit | |
| 182.0579088 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Syringaldehyde | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC(OC)=C(O)C(OC)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KCDXJAYRVLXPFO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 113 °C | CAS Common Chemistry |
| Name | Syringaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.760000000000005 Ų | RDKit |
| LogP | 1.2218999999999998 | RDKit |
| Molar Refractivity | 46.59830000000002 | RDKit |
