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Molecule
3-Hydroxy-2-Naphthoic Acid
CAS: 92-70-6 · C11H8O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 92-70-6
- Molecular Formula
- C11H8O3
- Molecular Mass
- 188.18 g/mol
Identifiers
CAS Registry Number
92-70-6
SMILES
O=C(O)c1cc2ccccc2cc1O
InChI Key
ALKYHXVLJMQRLQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)
Names and Synonyms
- 3-Hydroxy-2-Naphthoic Acid Synonym
- 2-Naphthalenecarboxylic acid, 3-hydroxy- Synonym
- 2-Naphthoic acid, 3-hydroxy- Synonym
- 3-Hydroxy-2-naphthalenecarboxylic acid Synonym
- BON Synonym
- BONA Synonym
- Developer BON Synonym
- 2-Hydroxy-3-naphthoic acid Synonym
- 3-Hydroxy-2-naphthoic acid Synonym
- Naphthol B.O.N. Synonym
- 3-Naphthol-2-carboxylic acid Synonym
- BON acid Synonym
- 2-Hydroxy-3-naphthalenecarboxylic acid Synonym
- C.I. Developer 20 Synonym
- Miketazol Developer ONS Synonym
- 3-Hydroxy-β-naphthoic acid Synonym
- 2-Naphthol-3-carboxylic acid Synonym
- 2-Hydroxy-3-carboxynaphthalene Synonym
- β-Hydroxy-3-naphthoic acid Synonym
- 3-Carboxy-2-naphthol Synonym
- β-Hydroxynaphthoic acid Synonym
- β-Oxynaphthoic acid Synonym
- 2-Hydroxyl-3-naphthoic acid Synonym
- NSC 3719 Synonym
- TCI-B 3229 Synonym
- H 0281 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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3-Hydroxy-2-naphthoic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C1=CC=2C=CC=CC2C=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=ALKYHXVLJMQRLQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 222-223 °C | CAS Common Chemistry |
| Name | 3-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 | 52.57210000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 188.047344116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
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200 ppm
180
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20
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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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MW = 188.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H8O3.
