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6-Hydroxy-2-Naphthoic Acid
CAS: 16712-64-4 | C11H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16712-64-4
Molecular Formula:
C11H8O3
Molecular Mass:
188.18 g/mol
Names and Synonyms:
6-Hydroxy-2-Naphthoic Acid
2-Naphthalenecarboxylic acid, 6-hydroxy-
2-Naphthoic acid, 6-hydroxy-
6-Hydroxy-2-naphthalenecarboxylic acid
6-Hydroxy-2-naphthoic acid
2-Hydroxynaphthalene-6-carboxylic acid
2-Hydroxy-6-naphthoic acid
6-Hydroxy-β-naphthoic acid
6-Carboxy-2-naphthol
6-Hydroxynaphthylene-2-carboxylic acid
NSC 148862
NSC 689433
Identifiers:
SMILES:
O=C(O)c1ccc2cc(O)ccc2c1
InChI:
InChI=1S/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14)
Key Properties
Melting Point
243-244 °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 | |
| Canonical SMILES | O=C(O)C1=CC=C2C=C(O)C=CC2=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=KAUQJMHLAFIZDU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 243-244 °C | CAS Common Chemistry |
| Name | 6-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 | 2.2436 | RDKit |
| Molar Refractivity | 52.57210000000001 | RDKit |
