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1-Naphthol
CAS: 90-15-3 | C10H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90-15-3
Molecular Formula:
C10H8O
Molecular Weight:
144.17299999999997 g/mol
Names and Synonyms:
1-Naphthol
1-Naphthalenol
1-Naphthol
C.I. 76605
BASF Ursol ERN
C.I. Oxidation Base 33
Durafur Developer D
Fouramine ERN
Fourrine 99
Fourrine ERN
Furro ER
1-Hydroxynaphthalene
α-Hydroxynaphthalene
Nako TRB
α-Naphthol
Tertral ERN
Ursol ERN
Zoba ERN
α-Naphthyl alcohol
1-Naphthyl alcohol
Naphthol-1
NSC 9586
Naphthyl-1-ol
5-Hydroxynaphthalene
Identifiers:
SMILES:
Oc1cccc2ccccc12
InChI:
InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)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 |
|---|---|---|
| wikipedia-name | 1-Naphthol None | Legacy Database |
| molecular_mass | 144.17 g/mol | Legacy Database |
| density | 1.10 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1-Naphthol None | Legacy Database |
| cas-boiling-point | 288 °C None | Legacy Database |
| cas-canonical-smile | OC1=CC=CC=2C=CC=CC12 None | Legacy Database |
| cas-density | 1.0954 g/cm3 @ Temp: 98.7 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H None | Legacy Database |
| cas-inchi-key | InChIKey=KJCVRFUGPWSIIH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 96 °C None | Legacy Database |
| cas-name | 1-Naphthol None | Legacy Database |
| LogP | 2.5454000000000008 | 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 | 45.61280000000003 | RDKit |
