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 Weight:
152.14899999999997 g/mol
Names and Synonyms:
2-Hydroxy-6-Methoxybenzaldehyde
6-Hydroxy-2-methoxybenzaldehyde
6-Methoxysalicylaldehyde
Ramal
2-Hydroxy-6-methoxybenzaldehyde
o-Anisaldehyde, 6-hydroxy-
Benzaldehyde, 2-hydroxy-6-methoxy-
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
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 | 152.14899999999997 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.047344116 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 | 46.53 Ų | RDKit |
| Physical Properties | LogP | 1.2132999999999998 | RDKit |
| molecular_mass | 152.15 g/mol | Legacy Database | |
| cas-canonical-smile | O=CC=1C(O)=CC=CC1OC | Legacy Database | |
| cas-inchi | InChI=1S/C8H8O3/c1-11-8-4-2-3-7(10)6(8)5-9/h2-5,10H,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=DZJPDDVDKXHRLF-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 75 °C @ Solvent: Water | Legacy Database | |
| cas-name | 2-Hydroxy-6-methoxybenzaldehyde | Legacy Database | |
| Molar | Molar Refractivity | 40.046300000000016 | RDKit |
