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Molecule
2-Nitroso-1-Naphthol
CAS: 132-53-6 · C10H7NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 132-53-6
- Molecular Formula
- C10H7NO2
- Molecular Mass
- 173.17 g/mol
Identifiers
CAS Registry Number
132-53-6
SMILES
O=Nc1ccc2ccccc2c1O
InChI Key
SYUYTOYKQOAVDW-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11-13/h1-6,12H
Names and Synonyms
- 2-Nitroso-1-Naphthol Systematic Name
- 1-Naphthalenol, 2-nitroso- Synonym
- 1-Naphthol, 2-nitroso- Synonym
- 2-Nitroso-1-naphthalenol Synonym
- C.I. 76610 Synonym
- β-Nitroso-α-naphthol Synonym
- 2-Nitroso-1-naphthol Synonym
- 2-Nitrosonaphthol Synonym
- β-Nitrosonaphthol Synonym
- 2-Nitroso-1-hydroxynaphthalene Synonym
- NSC 5034 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.17 g/mol | CAS Common Chemistry |
| 173.17099999999996 g/mol | RDKit | |
| 173.171 g/mol | RDKit | |
| Canonical SMILES | O=NC=1C=CC=2C=CC=CC2C1O | CAS Common Chemistry |
| InChI | InChI=1S/C10H7NO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11-13/h1-6,12H | CAS Common Chemistry |
| InChI Key | InChIKey=SYUYTOYKQOAVDW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158 °C (decomp) | CAS Common Chemistry |
| Name | 2-Nitroso-1-naphthol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | 2.943300000000001 | RDKit |
| 2.9433 | RDKit | |
| Molar Refractivity | 51.06780000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 173.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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MW = 173.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H7NO2.
