Back to Search
Molecule
Anthrone
CAS: 90-44-8 · C14H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 90-44-8
- Molecular Formula
- C14H10O
- Molecular Mass
- 194.23 g/mol
Identifiers
CAS Registry Number
90-44-8
SMILES
O=C1c2ccccc2Cc2ccccc21
InChI Key
RJGDLRCDCYRQOQ-UHFFFAOYSA-N
InChI
InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2
Names and Synonyms
- Anthrone Synonym
- 9(10H)-Anthracenone Synonym
- Anthrone Synonym
- Anthracene, 9,10-dihydro-9-oxo- Synonym
- Carbothrone Synonym
- 9-Oxoanthracene Synonym
- NSC 1965 Synonym
- Quino Power ATR Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.23 g/mol | CAS Common Chemistry |
| 194.233 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Anthrone | CAS Common Chemistry |
| Boiling Point | 375.2 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2CC=3C=CC=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RJGDLRCDCYRQOQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155 °C | CAS Common Chemistry |
| Name | Anthrone | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.8218000000000005 | RDKit |
| 2.8218 | RDKit | |
| Molar Refractivity | 59.122500000000024 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 194.07316494 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
Convert
Quick conversion
MW = 194.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H10O.
