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Molecule
2-Naphthalenecarboxaldehyde
CAS: 66-99-9 · C11H8O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 66-99-9
- Molecular Formula
- C11H8O
- Molecular Mass
- 156.18 g/mol
Identifiers
CAS Registry Number
66-99-9
SMILES
O=Cc1ccc2ccccc2c1
InChI Key
PJKVFARRVXDXAD-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
Names and Synonyms
- 2-Naphthalenecarboxaldehyde Synonym
- 2-Naphthalenecarboxaldehyde Synonym
- 2-Naphthaldehyde Synonym
- β-Naphthaldehyde Synonym
- β-Naphthylcarboxaldehyde Synonym
- 2-Formylnaphthalene Synonym
- β-Formylnaphthalene Synonym
- 2-Naphthylcarboxaldehyde Synonym
- 2-Naphthylaldehyde Synonym
- β-Naphthoaldehyde Synonym
- NCR 1 (aldehyde) Synonym
- NCR 1 Synonym
- Naphthalene-2-carbaldehyde Synonym
- 2-Naphthalenealdehyde Synonym
- NSC 8557 Synonym
- 2-Napthaldehyde 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 | |
| Canonical SMILES | O=CC=1C=CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=PJKVFARRVXDXAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 62 °C | CAS Common Chemistry |
| Name | 2-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 | 2.6523000000000003 | RDKit |
| 2.6523 | RDKit | |
| Molar Refractivity | 49.33550000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 156.057514876 g/mol | RDKit |
| Boiling Point | 95-96 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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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MW = 156.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H8O.
