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Molecule
Acridone
CAS: 578-95-0 · C13H9NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 578-95-0
- Molecular Formula
- C13H9NO
- Molecular Mass
- 195.22 g/mol
Identifiers
CAS Registry Number
578-95-0
SMILES
O=c1c2ccccc2[nH]c2ccccc12
InChI Key
FZEYVTFCMJSGMP-UHFFFAOYSA-N
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)
Names and Synonyms
- Acridone Common Name
- 9(10H)-Acridinone Synonym
- 9-Acridanone Synonym
- Acridone Synonym
- Acridine, 9,10-dihydro-9-oxo- Synonym
- Acridanone Synonym
- 9-Acridone Synonym
- 9(10H)-Acridone Synonym
- Acridin-9-one Synonym
- CK 103 Synonym
- CK 103 (heterocycle) Synonym
- NSC 408196 Synonym
- NSC 7664 Synonym
- 10H-Acridin-9-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.22 g/mol | CAS Common Chemistry |
| 195.221 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 |
| 2.6813 | RDKit | |
| Molar Refractivity | 62.07470000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 195.068413908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 195.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H9NO.
