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Molecule
1,6-Dihydroxynaphthalene
CAS: 575-44-0 · C10H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 575-44-0
- Molecular Formula
- C10H8O2
- Molecular Mass
- 160.17 g/mol
Identifiers
CAS Registry Number
575-44-0
SMILES
Oc1ccc2c(O)cccc2c1
InChI Key
FZZQNEVOYIYFPF-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,11-12H
Names and Synonyms
- 1,6-Dihydroxynaphthalene Systematic Name
- D 22520 Synonym
- 1,6-Naphthalenediol Synonym
- C.I. 76630 Synonym
- 1,6-Dihydroxynaphthalene Synonym
- 2,5-Naphthalenediol Synonym
- 6-Hydroxy-1-naphthol Synonym
- 2,5-Dihydroxynaphthalene Synonym
- NSC 7201 Synonym
- D 0591 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.17 g/mol | CAS Common Chemistry |
| 160.172 g/mol | RDKit | |
| Canonical SMILES | OC=1C=CC=2C(O)=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,11-12H | CAS Common Chemistry |
| InChI Key | InChIKey=FZZQNEVOYIYFPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 138 °C | CAS Common Chemistry |
| Name | 1,6-Dihydroxynaphthalene | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 2.2509999999999994 | RDKit |
| 2.251 | RDKit | |
| Molar Refractivity | 47.27760000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 160.052429496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 160.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H8O2.
