Back to Search
Molecule
2-Methoxy-1-Naphthaldehyde
CAS: 5392-12-1 · C12H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5392-12-1
- Molecular Formula
- C12H10O2
- Molecular Mass
- 186.21 g/mol
Identifiers
CAS Registry Number
5392-12-1
SMILES
COc1ccc2ccccc2c1C=O
InChI Key
YIQGLTKAOHRZOL-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-8H,1H3
Names and Synonyms
- 2-Methoxy-1-Naphthaldehyde Synonym
- 1-Naphthalenecarboxaldehyde, 2-methoxy- Synonym
- 1-Naphthaldehyde, 2-methoxy- Synonym
- 2-Methoxy-1-naphthalenecarboxaldehyde Synonym
- 2-Methoxy-1-naphthaldehyde Synonym
- 2-Methoxy-1-naphthylaldehyde Synonym
- 2-Methoxynaphthalene-1-aldehyde Synonym
- NSC 28471 Synonym
- NSC 3256 Synonym
- 2-Methoxynaphthalene-1-carbaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.21 g/mol | CAS Common Chemistry |
| 186.20999999999998 g/mol | RDKit | |
| Canonical SMILES | O=CC1=C(OC)C=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-8H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YIQGLTKAOHRZOL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 82 °C | CAS Common Chemistry |
| Name | 2-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 |
| 2.6609 | RDKit | |
| Molar Refractivity | 55.88750000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0833 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 186.06807956 g/mol | RDKit |
| Boiling Point | 205 °C @ 18 Torr | CAS Common Chemistry |
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
Convert
Quick conversion
MW = 186.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10O2.
