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Molecule
4-Methoxy-3-Methylbenzaldehyde
CAS: 32723-67-4 · C9H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 32723-67-4
- Molecular Formula
- C9H10O2
- Molecular Mass
- 150.18 g/mol
Identifiers
CAS Registry Number
32723-67-4
SMILES
COc1ccc(C=O)cc1C
InChI Key
MYLBIQHZWFWSMH-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-6H,1-2H3
Names and Synonyms
- 4-Methoxy-3-Methylbenzaldehyde Systematic Name
- Benzaldehyde, 4-methoxy-3-methyl- Synonym
- p-Anisaldehyde, 3-methyl- Synonym
- 4-Methoxy-3-methylbenzaldehyde Synonym
- 3-Methyl-4-methoxybenzaldehyde Synonym
- 4-Methoxy-3-tolualdehyde Synonym
- 3-Methyl-p-anisaldehyde Synonym
- (4-Methoxy-3-methylphenyl)formaldehyde Synonym
- 3-Methyl-4-anisaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.18 g/mol | CAS Common Chemistry |
| 150.17699999999996 g/mol | RDKit | |
| 150.177 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.082 g/cm3 @ 16 °C | CAS Common Chemistry | |
| Boiling Point | 80-85 °C | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC=C(OC)C(=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MYLBIQHZWFWSMH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Methoxy-3-methylbenzaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 1.81612 | RDKit |
| 1.8161 | RDKit | |
| Molar Refractivity | 43.11850000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 150.06807956 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 150.18 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H10O2.
