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2-Methoxybenzaldehyde
CAS: 135-02-4 | C8H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
135-02-4
Molecular Formula:
C8H8O2
Molecular Mass:
136.15 g/mol
Names and Synonyms:
2-Methoxybenzaldehyde
Benzaldehyde, 2-methoxy-
o-Anisaldehyde
Benzaldehyde, o-methoxy-
2-Methoxybenzaldehyde
6-Methoxybenzaldehyde
o-Methoxybenzaldehyde
2-Anisaldehyde
2-Methoxybenzenecarboxaldehyde
Salicylaldehyde methyl ether
o-Formylanisole
2-Methoxyphenylformaldehyde
NC 064
NSC 58960
2-(Methyloxy)benzaldehyde
Identifiers:
SMILES:
COc1ccccc1C=O
InChI:
InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
Key Properties
Boiling Point
243.5 °C
CAS Common Chemistry
Melting Point
37.5 °C
CAS Common Chemistry
Density
1.10 g/cm³
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 | 136.15 g/mol | CAS Common Chemistry |
| 136.14999999999998 g/mol | RDKit | |
| 136.052429496 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0992 g/cm3 @ Temp: 50.8 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Methoxybenzaldehyde | CAS Common Chemistry |
| Boiling Point | 243.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=CC=1C=CC=CC1OC | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PKZJLOCLABXVMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 37.5 °C | CAS Common Chemistry |
| Name | 2-Methoxybenzaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.5076999999999998 | RDKit |
| Molar Refractivity | 38.38150000000001 | RDKit |
