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Molecule
1-Naphthalenecarboxaldehyde
CAS: 66-77-3 · C11H8O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 66-77-3
- Molecular Formula
- C11H8O
- Molecular Mass
- 156.18 g/mol
Identifiers
CAS Registry Number
66-77-3
SMILES
O=Cc1cccc2ccccc12
InChI Key
SQAINHDHICKHLX-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
Names and Synonyms
- 1-Naphthalenecarboxaldehyde Synonym
- 1-Naphthalenecarboxaldehyde Synonym
- 1-Naphthaldehyde Synonym
- α-Naphthaldehyde Synonym
- 1-Naphthylaldehyde Synonym
- 1-Formylnaphthalene Synonym
- α-Naphthylaldehyde Synonym
- α-Naphthylcarboxaldehyde Synonym
- 1-Naphthylcarboxaldehyde Synonym
- α-Naphthalenecarboxaldehyde Synonym
- α-Naphthoaldehyde Synonym
- Naphthalene-1-carbaldehyde Synonym
- Naphthalene-1-aldehyde Synonym
- NSC 6106 Synonym
- 4-Naphthalene-1-carboxaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.18 g/mol | CAS Common Chemistry |
| 156.18399999999997 g/mol | RDKit | |
| 156.184 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.066 g/cm3 @ 30 °C | CAS Common Chemistry | |
| Boiling Point | 292 °C | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC=CC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=SQAINHDHICKHLX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 33.5 °C | CAS Common Chemistry |
| Name | 1-Naphthalenecarboxaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.652300000000001 | RDKit |
| 2.6523 | RDKit | |
| Molar Refractivity | 49.335500000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 156.057514876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 156.18 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H8O.
