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Molecule
Lucidin
CAS: 478-08-0 · C15H10O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 478-08-0
- Molecular Formula
- C15H10O5
- Molecular Mass
- 270.24 g/mol
Identifiers
CAS Registry Number
478-08-0
SMILES
O=C1c2ccccc2C(=O)c2c1cc(O)c(CO)c2O
InChI Key
AMIDUPFSOUCLQB-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-5,16-17,20H,6H2
Names and Synonyms
- Lucidin Synonym
- 9,10-Anthracenedione, 1,3-dihydroxy-2-(hydroxymethyl)- Synonym
- Anthraquinone, 1,3-dihydroxy-2-(hydroxymethyl)- Synonym
- 1,3-Dihydroxy-2-(hydroxymethyl)-9,10-anthracenedione Synonym
- Henine Synonym
- Lucidin Synonym
- Lucidin (quinone) Synonym
- 1,3-Dihydroxy-2-(hydroxymethyl)anthraquinone Synonym
- NSC 30546 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 270.24 g/mol | CAS Common Chemistry |
| 270.23999999999995 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C3=C(O)C(=C(O)C=C13)CO | CAS Common Chemistry |
| InChI | InChI=1S/C15H10O5/c16-6-10-11(17)5-9-12(15(10)20)14(19)8-4-2-1-3-7(8)13(9)18/h1-5,16-17,20H,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AMIDUPFSOUCLQB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 330 °C | CAS Common Chemistry |
| Name | Lucidin | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 94.83000000000001 Ų | RDKit |
| 94.83 Ų | RDKit | |
| LogP | 1.3655000000000002 | RDKit |
| 1.3655 | RDKit | |
| Molar Refractivity | 69.0014 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0667 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 270.05282342 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 = 270.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H10O5.
