Back to Search
4-Methoxy-1-Naphthaldehyde
CAS: 15971-29-6 | C12H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15971-29-6
Molecular Formula:
C12H10O2
Molecular Mass:
186.21 g/mol
Names and Synonyms:
4-Methoxy-1-Naphthaldehyde
1-Naphthalenecarboxaldehyde, 4-methoxy-
1-Naphthaldehyde, 4-methoxy-
4-Methoxy-1-naphthalenecarboxaldehyde
4-Methoxy-1-naphthaldehyde
4-Methoxy-1-naphthylaldehyde
NSC 97025
4-Formyl-1-methoxynaphthalene
1-(4-Methoxy)naphthaldehyde
Identifiers:
SMILES:
COc1ccc(C=O)c2ccccc12
InChI:
InChI=1S/C12H10O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3
Key Properties
Boiling Point
200-202 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
34.8 °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 | 186.21 g/mol | CAS Common Chemistry |
| 186.06807956 g/mol | RDKit | |
| Boiling Point | 200-202 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC=C(OC)C=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O2/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-8H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MVXMNHYVCLMLDD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 34.8 °C | CAS Common Chemistry |
| Name | 4-Methoxy-1-naphthaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.6609000000000007 | RDKit |
| Molar Refractivity | 55.88750000000002 | RDKit |
