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1-Hydroxy-2-Naphthoic Acid
CAS: 86-48-6 | C11H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
86-48-6
Molecular Formula:
C11H8O3
Molecular Mass:
188.18 g/mol
Names and Synonyms:
1-Hydroxy-2-Naphthoic Acid
2-Naphthalenecarboxylic acid, 1-hydroxy-
2-Naphthoic acid, 1-hydroxy-
1-Hydroxy-2-naphthalenecarboxylic acid
1-Hydroxy-2-naphthoic acid
1-Naphthol-2-carboxylic acid
2-Carboxy-1-naphthol
NSC 3717
Xinafoic acid
α-Hydroxy-β-naphthoic acid
1-Hydroxy 2-naphthalic acid
H 0279
Identifiers:
SMILES:
O=C(O)c1ccc2ccccc2c1O
InChI:
InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)
Key Properties
Boiling Point
150-160 °C @ Press: 0.1 Torr
CAS Common Chemistry
Melting Point
195 °C
CAS Common Chemistry
Density
1.43 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 | 188.18 g/mol | CAS Common Chemistry |
| 188.182 g/mol | RDKit | |
| 188.047344116 g/mol | RDKit | |
| Density | 1.43 g/cm³ | CAS Common Chemistry |
| 1.43 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 150-160 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C=1C=CC=2C=CC=CC2C1O | CAS Common Chemistry |
| InChI | InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=SJJCQDRGABAVBB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 195 °C | CAS Common Chemistry |
| Name | 1-Hydroxy-2-naphthoic acid | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 2.2436000000000003 | RDKit |
| Molar Refractivity | 52.57210000000002 | RDKit |
