Back to Search
2-Hydroxy-6-Methoxybenzaldehyde
CAS: 700-44-7 | C8H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
700-44-7
Molecular Formula:
C8H8O3
Molecular Mass:
152.15 g/mol
Names and Synonyms:
2-Hydroxy-6-Methoxybenzaldehyde
Benzaldehyde, 2-hydroxy-6-methoxy-
o-Anisaldehyde, 6-hydroxy-
2-Hydroxy-6-methoxybenzaldehyde
Ramal
6-Methoxysalicylaldehyde
6-Hydroxy-2-methoxybenzaldehyde
Identifiers:
SMILES:
COc1cccc(O)c1C=O
InChI:
InChI=1S/C8H8O3/c1-11-8-4-2-3-7(10)6(8)5-9/h2-5,10H,1H3
Key Properties
Melting Point
75 °C @ Solvent: Water
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 | 152.15 g/mol | CAS Common Chemistry |
| 152.14899999999997 g/mol | RDKit | |
| 152.047344116 g/mol | RDKit | |
| Canonical SMILES | O=CC=1C(O)=CC=CC1OC | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O3/c1-11-8-4-2-3-7(10)6(8)5-9/h2-5,10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DZJPDDVDKXHRLF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75 °C @ Solvent: Water | CAS Common Chemistry |
| Name | 2-Hydroxy-6-methoxybenzaldehyde | 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 | 46.53 Ų | RDKit |
| LogP | 1.2132999999999998 | RDKit |
| Molar Refractivity | 40.046300000000016 | RDKit |
