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2-Hydroxy-1-Naphthoic Acid
CAS: 2283-08-1 | C11H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2283-08-1
Molecular Formula:
C11H8O3
Molecular Mass:
188.18 g/mol
Names and Synonyms:
2-Hydroxy-1-Naphthoic Acid
1-Naphthalenecarboxylic acid, 2-hydroxy-
1-Naphthoic acid, 2-hydroxy-
2-Hydroxy-1-naphthalenecarboxylic acid
2-Hydroxy-1-naphthoic acid
NSC 2803
Identifiers:
SMILES:
O=C(O)c1c(O)ccc2ccccc12
InChI:
InChI=1S/C11H8O3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H,(H,13,14)
Key Properties
Boiling Point
216 °C
CAS Common Chemistry
Melting Point
154-155 °C
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 | |
| Boiling Point | 216 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C1=C(O)C=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C11H8O3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=UPHOPMSGKZNELG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 154-155 °C | CAS Common Chemistry |
| Name | 2-Hydroxy-1-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 | 2.2436 | RDKit |
| Molar Refractivity | 52.57210000000002 | RDKit |
