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Molecule
2-Hydroxy-1-Naphthoic Acid
CAS: 2283-08-1 · C11H8O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2283-08-1
- Molecular Formula
- C11H8O3
- Molecular Mass
- 188.18 g/mol
Identifiers
CAS Registry Number
2283-08-1
SMILES
O=C(O)c1c(O)ccc2ccccc12
InChI Key
UPHOPMSGKZNELG-UHFFFAOYSA-N
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)
Names and Synonyms
- 2-Hydroxy-1-Naphthoic Acid Systematic Name
- 1-Naphthalenecarboxylic acid, 2-hydroxy- Synonym
- 1-Naphthoic acid, 2-hydroxy- Synonym
- 2-Hydroxy-1-naphthalenecarboxylic acid Synonym
- 2-Hydroxy-1-naphthoic acid Synonym
- NSC 2803 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 | |
| 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 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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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| 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.
