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1-Nitroso-2-Naphthol
CAS: 131-91-9 | C10H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
131-91-9
Molecular Formula:
C10H7NO2
Molecular Mass:
173.17 g/mol
Names and Synonyms:
1-Nitroso-2-Naphthol
2-Naphthalenol, 1-nitroso-
2-Naphthol, 1-nitroso-
1-Nitroso-2-naphthalenol
α-Nitroso-β-naphthol
1-Nitroso-2-naphthol
1-Nitroso-2-hydroxynaphthalene
2-Hydroxy-1-nitrosonaphthalene
NSC 4151
NSC 677525
Identifiers:
SMILES:
O=Nc1c(O)ccc2ccccc12
InChI:
InChI=1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H
Key Properties
Melting Point
109.5 °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 | 173.17 g/mol | CAS Common Chemistry |
| 173.17099999999996 g/mol | RDKit | |
| 173.047678464 g/mol | RDKit | |
| Canonical SMILES | O=NC1=C(O)C=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H | CAS Common Chemistry |
| InChI Key | InChIKey=YXAOOTNFFAQIPZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109.5 °C | CAS Common Chemistry |
| Name | 1-Nitroso-2-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 | 2.9433000000000016 | RDKit |
| Molar Refractivity | 51.06780000000003 | RDKit |
