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Naphthazarin
CAS: 475-38-7 | C10H6O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
475-38-7
Molecular Formula:
C10H6O4
Molecular Mass:
190.15 g/mol
Names and Synonyms:
Naphthazarin
1,4-Naphthalenedione, 5,8-dihydroxy-
Naphthazarin
1,4-Naphthoquinone, 5,8-dihydroxy-
5,8-Dihydroxy-1,4-naphthalenedione
5,8-Dihydroxy-1,4-naphthosemiquinone
5,8-Dihydroxynaphthoquinone
Naphthazarine
Naphthazarone
5,8-Dihydroxy-1,4-naphthoquinone
NSC 26647
NSC 344555
Identifiers:
SMILES:
O=C1C=CC(=O)c2c(O)ccc(O)c21
InChI:
InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
Key Properties
Melting Point
232 °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 | 190.15 g/mol | CAS Common Chemistry |
| 190.154 g/mol | RDKit | |
| 190.026608672 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Naphthazarin | CAS Common Chemistry |
| Canonical SMILES | O=C1C=CC(=O)C=2C(O)=CC=C(O)C12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H | CAS Common Chemistry |
| InChI Key | InChIKey=RQNVIKXOOKXAJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 232 °C | CAS Common Chemistry |
| Name | Naphthazarin | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| LogP | 1.033 | RDKit |
| Molar Refractivity | 47.572600000000016 | RDKit |
