Back to Search
7,8-Dihydroxyflavone
CAS: 38183-03-8 | C15H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38183-03-8
Molecular Formula:
C15H10O4
Molecular Mass:
254.24 g/mol
Names and Synonyms:
7,8-Dihydroxyflavone
4H-1-Benzopyran-4-one, 7,8-dihydroxy-2-phenyl-
Flavone, 7,8-dihydroxy-
7,8-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one
7,8-Dihydroxyflavone
7,8-Dihydroxy-2-phenyl-4H-chromen-4-one
Identifiers:
SMILES:
O=c1cc(-c2ccccc2)oc2c(O)c(O)ccc12
InChI:
InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H
Key Properties
Melting Point
240-242 °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 | 254.24 g/mol | CAS Common Chemistry |
| 254.24099999999999 g/mol | RDKit | |
| 254.0579088 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C(OC2=C(O)C(O)=CC=C12)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H | CAS Common Chemistry |
| InChI Key | InChIKey=COCYGNDCWFKTMF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 240-242 °C | CAS Common Chemistry |
| Name | 7,8-Dihydroxyflavone | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 70.67 Ų | RDKit |
| LogP | 2.871200000000001 | RDKit |
| Molar Refractivity | 71.24960000000002 | RDKit |
