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2-Naphthol
CAS: 135-19-3 | C10H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
135-19-3
Molecular Formula:
C10H8O
Molecular Weight:
144.17299999999997 g/mol
Names and Synonyms:
2-Naphthol
2-Naphthalenol
2-Naphthol
C.I. 37500
Azogen Developer A
C.I. Azoic Coupling Component 1
C.I. Developer 5
Developer A
Developer AMS
Developer BN
Developer NA
β-Hydroxynaphthalene
Isonaphthol
2-Hydroxynaphthalene
Naphthol B
β-Naphthol
Betanaphthol
β-Naphthyl alcohol
NSC 2044
NSC 5737
Bordeaux Base GP
Identifiers:
SMILES:
Oc1ccc2ccccc2c1
InChI:
InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 144.17 g/mol | Legacy Database |
| density | 1.28 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Naphthol None | Legacy Database |
| cas-boiling-point | 285 °C None | Legacy Database |
| cas-canonical-smile | OC=1C=CC=2C=CC=CC2C1 None | Legacy Database |
| cas-density | 1.28 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H None | Legacy Database |
| cas-inchi-key | InChIKey=JWAZRIHNYRIHIV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 121.6 °C None | Legacy Database |
| cas-name | 2-Naphthol None | Legacy Database |
| wikipedia-name | 2-Naphthol None | Legacy Database |
| LogP | 2.5454 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.17299999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.057514876 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 45.61280000000002 | RDKit |
