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2-Hydroxy-5-Methoxybenzaldehyde
CAS: 672-13-9 | C8H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
672-13-9
Molecular Formula:
C8H8O3
Molecular Mass:
152.15 g/mol
Names and Synonyms:
2-Hydroxy-5-Methoxybenzaldehyde
Benzaldehyde, 2-hydroxy-5-methoxy-
m-Anisaldehyde, 6-hydroxy-
2-Hydroxy-5-methoxybenzaldehyde
5-Methoxysalicylaldehyde
2-Formyl-4-methoxyphenol
5-Methoxy-2-hydroxybenzaldehyde
4-Hydroxy-3-formylanisole
NSC 30116
3-Methoxy-6-hydroxybenzaldehyde
Identifiers:
SMILES:
COc1ccc(O)c(C=O)c1
InChI:
InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
Key Properties
Boiling Point
247.5 °C
CAS Common Chemistry
Melting Point
4 °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 | 152.15 g/mol | CAS Common Chemistry |
| 152.14899999999997 g/mol | RDKit | |
| 152.047344116 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Hydroxy-5-methoxybenzaldehyde | CAS Common Chemistry |
| Boiling Point | 247.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC(OC)=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FZHSPPYCNDYIKD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 4 °C | CAS Common Chemistry |
| Name | 2-Hydroxy-5-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 | 1.2133 | RDKit |
| Molar Refractivity | 40.046300000000016 | RDKit |
