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Acridone
CAS: 578-95-0 | C13H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
578-95-0
Molecular Formula:
C13H9NO
Molecular Mass:
195.22 g/mol
Names and Synonyms:
Acridone
9(10H)-Acridinone
9-Acridanone
Acridone
Acridine, 9,10-dihydro-9-oxo-
Acridanone
9-Acridone
9(10H)-Acridone
Acridin-9-one
CK 103
CK 103 (heterocycle)
NSC 408196
NSC 7664
10H-Acridin-9-one
Identifiers:
SMILES:
O=c1c2ccccc2[nH]c2ccccc12
InChI:
InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)
Key Properties
Melting Point
250 °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 | 195.22 g/mol | CAS Common Chemistry |
| 195.221 g/mol | RDKit | |
| 195.068413908 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acridone | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2NC=3C=CC=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=FZEYVTFCMJSGMP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 250 °C | CAS Common Chemistry |
| Name | Acridone | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 32.86 Ų | RDKit |
| LogP | 2.6813000000000002 | RDKit |
| Molar Refractivity | 62.07470000000002 | RDKit |
