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Molecule
1-Hydroxy-2-Naphthoic Acid
CAS: 86-48-6 · C11H8O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 86-48-6
- Molecular Formula
- C11H8O3
- Molecular Mass
- 188.18 g/mol
Identifiers
CAS Registry Number
86-48-6
SMILES
O=C(O)c1ccc2ccccc2c1O
InChI Key
SJJCQDRGABAVBB-UHFFFAOYSA-N
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)
Names and Synonyms
- 1-Hydroxy-2-Naphthoic Acid Systematic Name
- 2-Naphthalenecarboxylic acid, 1-hydroxy- Synonym
- 2-Naphthoic acid, 1-hydroxy- Synonym
- 1-Hydroxy-2-naphthalenecarboxylic acid Synonym
- 1-Hydroxy-2-naphthoic acid Synonym
- 1-Naphthol-2-carboxylic acid Synonym
- 2-Carboxy-1-naphthol Synonym
- NSC 3717 Synonym
- Xinafoic acid Synonym
- α-Hydroxy-β-naphthoic acid Synonym
- 1-Hydroxy 2-naphthalic acid Synonym
- H 0279 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.18 g/mol | CAS Common Chemistry |
| 188.182 g/mol | RDKit | |
| Density | 1.43 g/cm³ | CAS Common Chemistry |
| 1.43 g/cm3 | 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 |
| 2.2436 | RDKit | |
| Molar Refractivity | 52.57210000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 188.047344116 g/mol | RDKit |
| Boiling Point | 150-160 °C @ 0.1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 188.18 g/mol; density = 1.430 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H8O3.
