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2-Hydroxy-1-Naphthaldehyde
CAS: 708-06-5 | C11H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
708-06-5
Molecular Formula:
C11H8O2
Molecular Mass:
172.18 g/mol
Names and Synonyms:
2-Hydroxy-1-Naphthaldehyde
1-Naphthalenecarboxaldehyde, 2-hydroxy-
1-Naphthaldehyde, 2-hydroxy-
2-Hydroxy-1-naphthalenecarboxaldehyde
2-Hydroxy-α-naphthaldehyde
2-Hydroxynaphthaldehyde
1-Formyl-2-naphthol
β-Hydroxynaphthaldehyde
β-Hydroxy-α-naphthaldehyde
NC 014
2-Hydroxy-1-naphthaldehyde
1-Formyl-2-hydroxynaphthalene
2-Hydroxynaphthalenecarboxaldehyde
NSC 2104
NSC 402586
2-Hydroxy-1-naphthalenealdehyde
1-Formylnaphthalen-2-ol
2-Hydroxy-1-formylnaphthalene
2-Hydroxynaphthyl-1-carboxaldehyde
Identifiers:
SMILES:
O=Cc1c(O)ccc2ccccc12
InChI:
InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
Key Properties
Boiling Point
185-187 °C @ Press: 25-27 Torr
CAS Common Chemistry
Melting Point
83 °C
CAS Common Chemistry
Density
1.41 g/cm³
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 | 172.18 g/mol | CAS Common Chemistry |
| 172.18299999999996 g/mol | RDKit | |
| 172.052429496 g/mol | RDKit | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.41 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 185-187 °C @ Press: 25-27 Torr | 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 | RDKit |
