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Molecule
2-Hydroxy-1-Naphthaldehyde
CAS: 708-06-5 · C11H8O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 708-06-5
- Molecular Formula
- C11H8O2
- Molecular Mass
- 172.18 g/mol
Identifiers
CAS Registry Number
708-06-5
SMILES
O=Cc1c(O)ccc2ccccc12
InChI Key
NTCCNERMXRIPTR-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
Names and Synonyms
- 2-Hydroxy-1-Naphthaldehyde Systematic Name
- 1-Naphthalenecarboxaldehyde, 2-hydroxy- Synonym
- 1-Naphthaldehyde, 2-hydroxy- Synonym
- 2-Hydroxy-1-naphthalenecarboxaldehyde Synonym
- 2-Hydroxy-α-naphthaldehyde Synonym
- 2-Hydroxynaphthaldehyde Synonym
- 1-Formyl-2-naphthol Synonym
- β-Hydroxynaphthaldehyde Synonym
- β-Hydroxy-α-naphthaldehyde Synonym
- NC 014 Synonym
- 2-Hydroxy-1-naphthaldehyde Synonym
- 1-Formyl-2-hydroxynaphthalene Synonym
- 2-Hydroxynaphthalenecarboxaldehyde Synonym
- NSC 2104 Synonym
- NSC 402586 Synonym
- 2-Hydroxy-1-naphthalenealdehyde Synonym
- 1-Formylnaphthalen-2-ol Synonym
- 2-Hydroxy-1-formylnaphthalene Synonym
- 2-Hydroxynaphthyl-1-carboxaldehyde Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.18 g/mol | CAS Common Chemistry |
| 172.18299999999996 g/mol | RDKit | |
| 172.183 g/mol | RDKit | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.41 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=CC1=C(O)C=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H | CAS Common Chemistry |
| InChI Key | InChIKey=NTCCNERMXRIPTR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83 °C | CAS Common Chemistry |
| Name | 2-Hydroxy-1-naphthaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.3579 | RDKit |
| Molar Refractivity | 51.00030000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 172.052429496 g/mol | RDKit |
| Boiling Point | 185-187 °C @ 25-27 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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Quick conversion
MW = 172.18 g/mol; density = 1.410 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H8O2.
